AF-399/13428007
TL;DR: AF-399/13428007 (CAS 302576-60-9) is a chemical compound with molecular formula C15H21NO3S and molecular weight 295.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-methyl-2-(2-methylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: AF-399/13428007, methyl 2-(isobutyrylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 6-methyl-2-(2-methylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ME 2-(ISOBUTYRYLAMINO)-6-ME-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, METHYL 6-METHYL-2-(2-METHYLPROPANAMIDO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
| Molecular Formula | C15H21NO3S |
|---|---|
| Molecular Weight | 295.12 g/mol |
| LogP | 3.254 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.1242 |
| Heavy Atoms | 20 |
| Complexity | 533.46606 |
Chemical Identifiers
| CAS Number | 302576-60-9 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C(C)C |
Product Overview
AF-399/13428007 (CAS 302576-60-9), with molecular formula C15H21NO3S and molecular weight 295.12 g/mol. IUPAC: methyl 6-methyl-2-(2-methylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of AF-399/13428007
Property Insights of AF-399/13428007
The XLogP value of 3.254 indicates that AF-399/13428007 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, AF-399/13428007 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AF-399/13428007 has 1 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-399/13428007?
The CAS number of AF-399/13428007 is 302576-60-9.
What is the molecular formula of AF-399/13428007?
The molecular formula of AF-399/13428007 is C15H21NO3S.
What is the molecular weight of AF-399/13428007?
The molecular weight of AF-399/13428007 is 295.12 g/mol.
Where can I buy AF-399/13428007?
You can request a quote for AF-399/13428007 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/13428007?
Yes, KEHONG BIO provides custom synthesis services for AF-399/13428007 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.