AF-399/41894907
TL;DR: AF-399/41894907 (CAS 617681-07-9) is a chemical compound with molecular formula C25H27N3O3S and molecular weight 449.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-propan-2-yloxybenzoyl)amino]-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: AF-399/41894907, 2-[(4-isopropoxybenzoyl)amino]-N-(3-pyridinylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-[(4-propan-2-yloxybenzoyl)amino]-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-({[4-(propan-2-yloxy)phenyl]carbonyl}amino)-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C25H27N3O3S |
|---|---|
| Molecular Weight | 449.18 g/mol |
| LogP | 4.9914 |
| Topological Polar Surface Area | 80.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 449.1773 |
| Heavy Atoms | 32 |
| Complexity | 1091.6249 |
Chemical Identifiers
| CAS Number | 617681-07-9 |
|---|---|
| SMILES | CC(C)OC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCC4=CN=CC=C4 |
Product Overview
AF-399/41894907 (CAS 617681-07-9), with molecular formula C25H27N3O3S and molecular weight 449.18 g/mol. IUPAC: 2-[(4-propan-2-yloxybenzoyl)amino]-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of AF-399/41894907
Property Insights of AF-399/41894907
The XLogP value of 4.9914 indicates that AF-399/41894907 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.32 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41894907. Following Lipinski's Rule of Five, AF-399/41894907 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-399/41894907?
The CAS number of AF-399/41894907 is 617681-07-9.
What is the molecular formula of AF-399/41894907?
The molecular formula of AF-399/41894907 is C25H27N3O3S.
What is the molecular weight of AF-399/41894907?
The molecular weight of AF-399/41894907 is 449.18 g/mol.
Where can I buy AF-399/41894907?
You can request a quote for AF-399/41894907 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41894907?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41894907 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.