AF-399/13927444
TL;DR: AF-399/13927444 (CAS 326907-46-4) is a chemical compound with molecular formula C19H18ClNO4S2 and molecular weight 423.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
Also Known As: AF-399/13927444, ethyl 2-[(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate, ethyl 2-{[(3-chloro-6-methoxy-1-benzothien-2-yl)carbonyl]amino}-4,5-dimethyl-3-thiophenecarboxylate, ethyl 2-(3-chloro-6-methoxybenzo[b]thiophene-2-carboxamido)-4,5-dimethylthiophene-3-carboxylate, ethyl 2-[(3-chloro-6-methoxybenzo[b]thiophen-2-yl)carbonylamino]-4,5-dimethylt hiophene-3-carboxylate
| Molecular Formula | C19H18ClNO4S2 |
|---|---|
| Molecular Weight | 423.04 g/mol |
| LogP | 5.67064 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 423.0366 |
| Heavy Atoms | 27 |
| Complexity | 1038.176 |
Chemical Identifiers
| CAS Number | 326907-46-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=C(C3=C(S2)C=C(C=C3)OC)Cl |
Product Overview
AF-399/13927444 (CAS 326907-46-4), with molecular formula C19H18ClNO4S2 and molecular weight 423.04 g/mol. IUPAC: ethyl 2-[(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate.
Chemical Property Profile of AF-399/13927444
Property Insights of AF-399/13927444
The XLogP value of 5.67064 indicates that AF-399/13927444 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/13927444. Following Lipinski's Rule of Five, AF-399/13927444 has 1 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 AF-399/13927444?
The CAS number of AF-399/13927444 is 326907-46-4.
What is the molecular formula of AF-399/13927444?
The molecular formula of AF-399/13927444 is C19H18ClNO4S2.
What is the molecular weight of AF-399/13927444?
The molecular weight of AF-399/13927444 is 423.04 g/mol.
Where can I buy AF-399/13927444?
You can request a quote for AF-399/13927444 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/13927444?
Yes, KEHONG BIO provides custom synthesis services for AF-399/13927444 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.