AF-399/15030062
TL;DR: AF-399/15030062 (CAS 314261-30-8) is a chemical compound with molecular formula C16H17ClN2O2S and molecular weight 336.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(2-chlorophenyl)-2-[(E)-dimethylaminomethylideneamino]thiophene-3-carboxylate
Also Known As: AF-399/15030062, ethyl 4-(2-chlorophenyl)-2-{[(dimethylamino)methylidene]amino}thiophene-3-carboxylate, ethyl 2-[(1E)-2-(dimethylamino)-1-azavinyl]-4-(2-chlorophenyl)thiophene-3-carb oxylate, ethyl 4-(2-chlorophenyl)-2-{[(dimethylamino)methylene]amino}-3-thiophenecarboxylate
| Molecular Formula | C16H17ClN2O2S |
|---|---|
| Molecular Weight | 336.07 g/mol |
| LogP | 4.4666 |
| Topological Polar Surface Area | 41.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 336.06992 |
| Heavy Atoms | 22 |
| Complexity | 695.2043 |
Chemical Identifiers
| CAS Number | 314261-30-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC=CC=C2Cl)/N=C/N(C)C |
Product Overview
AF-399/15030062 (CAS 314261-30-8), with molecular formula C16H17ClN2O2S and molecular weight 336.07 g/mol. IUPAC: ethyl 4-(2-chlorophenyl)-2-[(E)-dimethylaminomethylideneamino]thiophene-3-carboxylate.
Chemical Property Profile of AF-399/15030062
Property Insights of AF-399/15030062
The XLogP value of 4.4666 indicates that AF-399/15030062 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.9 Ų, AF-399/15030062 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AF-399/15030062 has 0 hydrogen bond donor(s) and 4 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 AF-399/15030062?
The CAS number of AF-399/15030062 is 314261-30-8.
What is the molecular formula of AF-399/15030062?
The molecular formula of AF-399/15030062 is C16H17ClN2O2S.
What is the molecular weight of AF-399/15030062?
The molecular weight of AF-399/15030062 is 336.07 g/mol.
Where can I buy AF-399/15030062?
You can request a quote for AF-399/15030062 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/15030062?
Yes, KEHONG BIO provides custom synthesis services for AF-399/15030062 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.