1N-731
TL;DR: 1N-731 (CAS 338393-34-3) is a chemical compound with molecular formula C19H19NO7S and molecular weight 405.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 3-(2-methoxy-2-oxoethyl)-5-[(3-methylbenzoyl)amino]thiophene-2,4-dicarboxylate
Also Known As: 1N-731, dimethyl 3-(2-methoxy-2-oxoethyl)-5-[(3-methylbenzoyl)amino]-2,4-thiophenedicarboxylate, dimethyl 3-(2-methoxy-2-oxoethyl)-5-[(3-methylbenzoyl)amino]thiophene-2,4-dicarboxylate, 2,4-dimethyl 3-(2-methoxy-2-oxoethyl)-5-(3-methylbenzamido)thiophene-2,4-dicarboxylate
| Molecular Formula | C19H19NO7S |
|---|---|
| Molecular Weight | 405.09 g/mol |
| LogP | 2.59752 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 405.08823 |
| Heavy Atoms | 28 |
| Complexity | 932.3585 |
Chemical Identifiers
| CAS Number | 338393-34-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)NC2=C(C(=C(S2)C(=O)OC)CC(=O)OC)C(=O)OC |
Product Overview
1N-731 (CAS 338393-34-3), with molecular formula C19H19NO7S and molecular weight 405.09 g/mol. IUPAC: dimethyl 3-(2-methoxy-2-oxoethyl)-5-[(3-methylbenzoyl)amino]thiophene-2,4-dicarboxylate.
Chemical Property Profile of 1N-731
Property Insights of 1N-731
The XLogP value of 2.59752 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1N-731. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1N-731. Following Lipinski's Rule of Five, 1N-731 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-731?
The CAS number of 1N-731 is 338393-34-3.
What is the molecular formula of 1N-731?
The molecular formula of 1N-731 is C19H19NO7S.
What is the molecular weight of 1N-731?
The molecular weight of 1N-731 is 405.09 g/mol.
Where can I buy 1N-731?
You can request a quote for 1N-731 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1N-731?
Yes, KEHONG BIO provides custom synthesis services for 1N-731 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.