AF-399/12447063
TL;DR: AF-399/12447063 (CAS 301694-38-2) is a chemical compound with molecular formula C22H21NO6S and molecular weight 427.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: AF-399/12447063, methyl 2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-({[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-(2-((4-methyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, methyl 2-{2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C22H21NO6S |
|---|---|
| Molecular Weight | 427.11 g/mol |
| LogP | 3.84582 |
| Topological Polar Surface Area | 94.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 427.10895 |
| Heavy Atoms | 30 |
| Complexity | 1192.2913 |
Chemical Identifiers
| CAS Number | 301694-38-2 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC |
Product Overview
AF-399/12447063 (CAS 301694-38-2), with molecular formula C22H21NO6S and molecular weight 427.11 g/mol. IUPAC: methyl 2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of AF-399/12447063
Property Insights of AF-399/12447063
The XLogP value of 3.84582 indicates that AF-399/12447063 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.84 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/12447063. Following Lipinski's Rule of Five, AF-399/12447063 has 1 hydrogen bond donor(s) and 7 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-399/12447063?
The CAS number of AF-399/12447063 is 301694-38-2.
What is the molecular formula of AF-399/12447063?
The molecular formula of AF-399/12447063 is C22H21NO6S.
What is the molecular weight of AF-399/12447063?
The molecular weight of AF-399/12447063 is 427.11 g/mol.
Where can I buy AF-399/12447063?
You can request a quote for AF-399/12447063 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/12447063?
Yes, KEHONG BIO provides custom synthesis services for AF-399/12447063 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.