1N-709
TL;DR: 1N-709 (CAS 338393-17-2) is a chemical compound with molecular formula C18H16ClNO7S and molecular weight 425.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[(3-chlorobenzoyl)amino]-3-(2-methoxy-2-oxoethyl)thiophene-2,4-dicarboxylate
Also Known As: 1N-709, dimethyl 5-[(3-chlorobenzoyl)amino]-3-(2-methoxy-2-oxoethyl)-2,4-thiophenedicarboxylate, dimethyl 5-[(3-chlorobenzoyl)amino]-3-(2-methoxy-2-oxoethyl)thiophene-2,4-dicarboxylate, 2,4-dimethyl 5-(3-chlorobenzamido)-3-(2-methoxy-2-oxoethyl)thiophene-2,4-dicarboxylate, 2,4-dimethyl5-(3-chlorobenzamido)-3-(2-methoxy-2-oxoethyl)thiophene-2,4-dicarboxylate
| Molecular Formula | C18H16ClNO7S |
|---|---|
| Molecular Weight | 425.03 g/mol |
| LogP | 2.9425 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 425.0336 |
| Heavy Atoms | 28 |
| Complexity | 938.0105 |
Chemical Identifiers
| CAS Number | 338393-17-2 |
|---|---|
| SMILES | COC(=O)CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC(=CC=C2)Cl)C(=O)OC |
Product Overview
1N-709 (CAS 338393-17-2), with molecular formula C18H16ClNO7S and molecular weight 425.03 g/mol. IUPAC: dimethyl 5-[(3-chlorobenzoyl)amino]-3-(2-methoxy-2-oxoethyl)thiophene-2,4-dicarboxylate.
Chemical Property Profile of 1N-709
Property Insights of 1N-709
The XLogP value of 2.9425 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1N-709. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1N-709. Following Lipinski's Rule of Five, 1N-709 has 1 hydrogen bond donor(s) and 8 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 1N-709?
The CAS number of 1N-709 is 338393-17-2.
What is the molecular formula of 1N-709?
The molecular formula of 1N-709 is C18H16ClNO7S.
What is the molecular weight of 1N-709?
The molecular weight of 1N-709 is 425.03 g/mol.
Where can I buy 1N-709?
You can request a quote for 1N-709 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1N-709?
Yes, KEHONG BIO provides custom synthesis services for 1N-709 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.