![4-((3-(Ethoxycarbonyl)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophen-2-yl)amino)-4-oxobutanoic acid structure](/static/products/4382/438231-90-4.webp)
4-((3-(Ethoxycarbonyl)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophen-2-yl)amino)-4-oxobutanoic acid
TL;DR: 4-((3-(Ethoxycarbonyl)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophen-2-yl)amino)-4-oxobutanoic acid (CAS 438231-90-4) is a chemical compound with molecular formula C22H33NO5S and molecular weight 423.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(16-ethoxycarbonyl-14-thiabicyclo[11.3.0]hexadeca-1(13),15-dien-15-yl)amino]-4-oxobutanoic acid
Also Known As: 4-((3-(Ethoxycarbonyl)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophen-2-yl)amino)-4-oxobutanoic acid, 4-[(16-ethoxycarbonyl-14-thiabicyclo[11.3.0]hexadeca-1(13),15-dien-15-yl)amino]-4-oxobutanoic acid, 4-{[3-(ethoxycarbonyl)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophen-2-yl]amino}-4-oxobutanoic acid, 3-{[3-(ETHOXYCARBONYL)-4H,5H,6H,7H,8H,9H,10H,11H,12H,13H,14H-CYCLOTRIDECA[B]THIOPHEN-2-YL]CARBAMOYL}PROPANOIC ACID, 3-{N-[3-(ethoxycarbonyl)-4,5,6,7,8,9,10,11,12,13,14-undecahydrocyclotrideca[1, 2-d]thiophen-2-yl]carbamoyl}propanoic acid
| Molecular Formula | C22H33NO5S |
|---|---|
| Molecular Weight | 423.21 g/mol |
| LogP | 5.3376 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 423.20795 |
| Heavy Atoms | 29 |
| Complexity | 697.6199 |
Chemical Identifiers
| CAS Number | 438231-90-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCCCCCCCCC2)NC(=O)CCC(=O)O |
Product Overview
4-((3-(Ethoxycarbonyl)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophen-2-yl)amino)-4-oxobutanoic acid (CAS 438231-90-4), with molecular formula C22H33NO5S and molecular weight 423.21 g/mol. IUPAC: 4-[(16-ethoxycarbonyl-14-thiabicyclo[11.3.0]hexadeca-1(13),15-dien-15-yl)amino]-4-oxobutanoic acid.
Chemical Property Profile of 4-((3-(Ethoxycarbonyl)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophen-2-yl)amino)-4-oxobutanoic acid
Property Insights of 4-((3-(Ethoxycarbonyl)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophen-2-yl)amino)-4-oxobutanoic acid
The XLogP value of 5.3376 indicates that 4-((3-(Ethoxycarbonyl)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophen-2-yl)amino)-4-oxobutanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((3-(Ethoxycarbonyl)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophen-2-yl)amino)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-((3-(Ethoxycarbonyl)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophen-2-yl)amino)-4-oxobutanoic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-((3-(Ethoxycarbonyl)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophen-2-yl)amino)-4-oxobutanoic acid?
The CAS number of 4-((3-(Ethoxycarbonyl)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophen-2-yl)amino)-4-oxobutanoic acid is 438231-90-4.
What is the molecular formula of 4-((3-(Ethoxycarbonyl)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophen-2-yl)amino)-4-oxobutanoic acid?
The molecular formula of 4-((3-(Ethoxycarbonyl)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophen-2-yl)amino)-4-oxobutanoic acid is C22H33NO5S.
What is the molecular weight of 4-((3-(Ethoxycarbonyl)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophen-2-yl)amino)-4-oxobutanoic acid?
The molecular weight of 4-((3-(Ethoxycarbonyl)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophen-2-yl)amino)-4-oxobutanoic acid is 423.21 g/mol.
Where can I buy 4-((3-(Ethoxycarbonyl)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophen-2-yl)amino)-4-oxobutanoic acid?
You can request a quote for 4-((3-(Ethoxycarbonyl)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophen-2-yl)amino)-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((3-(Ethoxycarbonyl)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophen-2-yl)amino)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-((3-(Ethoxycarbonyl)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophen-2-yl)amino)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.