Green 3
TL;DR: Green 3 (CAS 1342-22-9) is a chemical compound with molecular formula C20H25NO5S and molecular weight 391.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-methoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
Also Known As: Green 3, 2-[(3-methoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamoyl]bicyclo[2.2.1]heptane-3-carboxylic acid, 3-({[3-(methoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl]amino}carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid, 3-((3-(methoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid, 3-{[3-(methoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]carbamoyl}bicyclo[2.2.1]heptane-2-carboxylic acid
| Molecular Formula | C20H25NO5S |
|---|---|
| Molecular Weight | 391.15 g/mol |
| LogP | 3.489 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 391.14536 |
| Heavy Atoms | 27 |
| Complexity | 785.5802 |
Chemical Identifiers
| CAS Number | 1342-22-9 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3C4CCC(C4)C3C(=O)O |
Product Overview
Green 3 (CAS 1342-22-9), with molecular formula C20H25NO5S and molecular weight 391.15 g/mol. IUPAC: 3-[(3-methoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid.
Chemical Property Profile of Green 3
Property Insights of Green 3
The XLogP value of 3.489 indicates that Green 3 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 Green 3. Following Lipinski's Rule of Five, Green 3 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Green 3?
The CAS number of Green 3 is 1342-22-9.
What is the molecular formula of Green 3?
The molecular formula of Green 3 is C20H25NO5S.
What is the molecular weight of Green 3?
The molecular weight of Green 3 is 391.15 g/mol.
Where can I buy Green 3?
You can request a quote for Green 3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Green 3?
Yes, KEHONG BIO provides custom synthesis services for Green 3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.