AF-399/41945560
TL;DR: AF-399/41945560 (CAS 612802-49-0) is a chemical compound with molecular formula C21H29N3O2S2 and molecular weight 419.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-cyclohexyl-4-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]butanamide
Also Known As: AF-399/41945560, F1440-0018, N-cyclohexyl-4-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]butanamide, N-cyclohexyl-4-({4-methyl-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl}sulfanyl)butanamide, N-cyclohexyl-4-[(3-methyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]butanamide
| Molecular Formula | C21H29N3O2S2 |
|---|---|
| Molecular Weight | 419.17 g/mol |
| LogP | 4.195 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.1701 |
| Heavy Atoms | 28 |
| Complexity | 912.49194 |
Chemical Identifiers
| CAS Number | 612802-49-0 |
|---|---|
| SMILES | CN1C(=O)C2=C(N=C1SCCCC(=O)NC3CCCCC3)SC4=C2CCCC4 |
Product Overview
AF-399/41945560 (CAS 612802-49-0), with molecular formula C21H29N3O2S2 and molecular weight 419.17 g/mol. IUPAC: N-cyclohexyl-4-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]butanamide.
Chemical Property Profile of AF-399/41945560
Property Insights of AF-399/41945560
The XLogP value of 4.195 indicates that AF-399/41945560 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.99 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41945560. Following Lipinski's Rule of Five, AF-399/41945560 has 1 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-399/41945560?
The CAS number of AF-399/41945560 is 612802-49-0.
What is the molecular formula of AF-399/41945560?
The molecular formula of AF-399/41945560 is C21H29N3O2S2.
What is the molecular weight of AF-399/41945560?
The molecular weight of AF-399/41945560 is 419.17 g/mol.
Where can I buy AF-399/41945560?
You can request a quote for AF-399/41945560 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41945560?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41945560 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.