![3-((3-(Ethoxycarbonyl)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophen-2-yl)carbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid structure](/static/products/1005/1005244-98-3.webp)
3-((3-(Ethoxycarbonyl)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophen-2-yl)carbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
TL;DR: 3-((3-(Ethoxycarbonyl)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophen-2-yl)carbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid (CAS 1005244-98-3) is a chemical compound with molecular formula C26H37NO6S and molecular weight 491.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(16-ethoxycarbonyl-14-thiabicyclo[11.3.0]hexadeca-1(13),15-dien-15-yl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Also Known As: 3-((3-(Ethoxycarbonyl)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophen-2-yl)carbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid, 3-({[3-(ethoxycarbonyl)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thien-2-yl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid, 3-{[3-(ethoxycarbonyl)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophen-2-yl]carbamoyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid, 2-[(16-ethoxycarbonyl-14-thiabicyclo[11.3.0]hexadeca-1(13),15-dien-15-yl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid, 3-[(16-ethoxycarbonyl-14-thiabicyclo[11.3.0]hexadeca-1(13),15-dien-15-yl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
| Molecular Formula | C26H37NO6S |
|---|---|
| Molecular Weight | 491.23 g/mol |
| LogP | 5.351 |
| Topological Polar Surface Area | 101.93 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 491.23416 |
| Heavy Atoms | 34 |
| Complexity | 896.09717 |
Chemical Identifiers
| CAS Number | 1005244-98-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCCCCCCCCC2)NC(=O)C3C4CCC(C3C(=O)O)O4 |
Product Overview
3-((3-(Ethoxycarbonyl)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophen-2-yl)carbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid (CAS 1005244-98-3), with molecular formula C26H37NO6S and molecular weight 491.23 g/mol. IUPAC: 3-[(16-ethoxycarbonyl-14-thiabicyclo[11.3.0]hexadeca-1(13),15-dien-15-yl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid.
Chemical Property Profile of 3-((3-(Ethoxycarbonyl)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophen-2-yl)carbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Property Insights of 3-((3-(Ethoxycarbonyl)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophen-2-yl)carbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
The XLogP value of 5.351 indicates that 3-((3-(Ethoxycarbonyl)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophen-2-yl)carbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((3-(Ethoxycarbonyl)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophen-2-yl)carbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid. Following Lipinski's Rule of Five, 3-((3-(Ethoxycarbonyl)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophen-2-yl)carbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-((3-(Ethoxycarbonyl)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophen-2-yl)carbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid?
The CAS number of 3-((3-(Ethoxycarbonyl)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophen-2-yl)carbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid is 1005244-98-3.
What is the molecular formula of 3-((3-(Ethoxycarbonyl)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophen-2-yl)carbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid?
The molecular formula of 3-((3-(Ethoxycarbonyl)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophen-2-yl)carbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid is C26H37NO6S.
What is the molecular weight of 3-((3-(Ethoxycarbonyl)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophen-2-yl)carbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid?
The molecular weight of 3-((3-(Ethoxycarbonyl)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophen-2-yl)carbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid is 491.23 g/mol.
Where can I buy 3-((3-(Ethoxycarbonyl)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophen-2-yl)carbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid?
You can request a quote for 3-((3-(Ethoxycarbonyl)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophen-2-yl)carbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((3-(Ethoxycarbonyl)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophen-2-yl)carbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-((3-(Ethoxycarbonyl)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophen-2-yl)carbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.