AF-399/15030060
TL;DR: AF-399/15030060 (CAS 314261-24-0) is a chemical compound with molecular formula C21H23NO5S and molecular weight 401.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2-acetyloxy-2-phenylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: AF-399/15030060, ethyl 2-{[(acetyloxy)(phenyl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, {N-[3-(ethoxycarbonyl)(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)]carbamoyl}phen ylmethyl acetate, ethyl 2-[(2-acetyloxy-2-phenylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C21H23NO5S |
|---|---|
| Molecular Weight | 401.13 g/mol |
| LogP | 4.0465 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 401.1297 |
| Heavy Atoms | 28 |
| Complexity | 874.42114 |
Chemical Identifiers
| CAS Number | 314261-24-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C3=CC=CC=C3)OC(=O)C |
Product Overview
AF-399/15030060 (CAS 314261-24-0), with molecular formula C21H23NO5S and molecular weight 401.13 g/mol. IUPAC: ethyl 2-[(2-acetyloxy-2-phenylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of AF-399/15030060
Property Insights of AF-399/15030060
The XLogP value of 4.0465 indicates that AF-399/15030060 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/15030060. Following Lipinski's Rule of Five, AF-399/15030060 has 1 hydrogen bond donor(s) and 6 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-399/15030060?
The CAS number of AF-399/15030060 is 314261-24-0.
What is the molecular formula of AF-399/15030060?
The molecular formula of AF-399/15030060 is C21H23NO5S.
What is the molecular weight of AF-399/15030060?
The molecular weight of AF-399/15030060 is 401.13 g/mol.
Where can I buy AF-399/15030060?
You can request a quote for AF-399/15030060 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/15030060?
Yes, KEHONG BIO provides custom synthesis services for AF-399/15030060 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.