AF-399/41894984
TL;DR: AF-399/41894984 (CAS 617680-58-7) is a chemical compound with molecular formula C24H25N3O4S and molecular weight 451.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(2-methoxyphenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: AF-399/41894984, 2-{[(2-methoxyphenoxy)acetyl]amino}-N-(3-pyridinylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-[[2-(2-methoxyphenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-{[(2-methoxyphenoxy)acetyl]amino}-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C24H25N3O4S |
|---|---|
| Molecular Weight | 451.16 g/mol |
| LogP | 3.978 |
| Topological Polar Surface Area | 89.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 451.1566 |
| Heavy Atoms | 32 |
| Complexity | 1097.8787 |
Chemical Identifiers
| CAS Number | 617680-58-7 |
|---|---|
| SMILES | COC1=CC=CC=C1OCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCC4=CN=CC=C4 |
Product Overview
AF-399/41894984 (CAS 617680-58-7), with molecular formula C24H25N3O4S and molecular weight 451.16 g/mol. IUPAC: 2-[[2-(2-methoxyphenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of AF-399/41894984
Property Insights of AF-399/41894984
The XLogP value of 3.978 indicates that AF-399/41894984 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.55 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41894984. Following Lipinski's Rule of Five, AF-399/41894984 has 2 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-399/41894984?
The CAS number of AF-399/41894984 is 617680-58-7.
What is the molecular formula of AF-399/41894984?
The molecular formula of AF-399/41894984 is C24H25N3O4S.
What is the molecular weight of AF-399/41894984?
The molecular weight of AF-399/41894984 is 451.16 g/mol.
Where can I buy AF-399/41894984?
You can request a quote for AF-399/41894984 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41894984?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41894984 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.