AF-399/07817046
TL;DR: AF-399/07817046 (CAS 308122-41-0) is a chemical compound with molecular formula C18H28N2O3S and molecular weight 352.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(3-methylbutylamino)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: AF-399/07817046, Ethyl 4,5,6,7-tetrahydro-2-[[2-[(3-methylbutyl)amino]acetyl]amino]benzo[b]thiophene-3-carboxylate, ethyl 2-{[(isopentylamino)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, Ethyl 2-{[N-(3-methylbutyl)glycyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[[2-(3-methylbutylamino)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C18H28N2O3S |
|---|---|
| Molecular Weight | 352.18 g/mol |
| LogP | 3.3778 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 352.18207 |
| Heavy Atoms | 24 |
| Complexity | 581.06415 |
Chemical Identifiers
| CAS Number | 308122-41-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CNCCC(C)C |
Product Overview
AF-399/07817046 (CAS 308122-41-0), with molecular formula C18H28N2O3S and molecular weight 352.18 g/mol. IUPAC: ethyl 2-[[2-(3-methylbutylamino)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of AF-399/07817046
Property Insights of AF-399/07817046
The XLogP value of 3.3778 indicates that AF-399/07817046 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/07817046. Following Lipinski's Rule of Five, AF-399/07817046 has 2 hydrogen bond donor(s) and 5 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-399/07817046?
The CAS number of AF-399/07817046 is 308122-41-0.
What is the molecular formula of AF-399/07817046?
The molecular formula of AF-399/07817046 is C18H28N2O3S.
What is the molecular weight of AF-399/07817046?
The molecular weight of AF-399/07817046 is 352.18 g/mol.
Where can I buy AF-399/07817046?
You can request a quote for AF-399/07817046 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/07817046?
Yes, KEHONG BIO provides custom synthesis services for AF-399/07817046 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.