AF-399/40806207
TL;DR: AF-399/40806207 (CAS 379243-11-5) is a chemical compound with molecular formula C21H20ClN3O2S2 and molecular weight 445.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorobenzoyl)-3-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylazepan-2-one
Also Known As: AF-399/40806207, 1-(4-chlorobenzoyl)-3-({5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)azepan-2-one, 1-(4-chlorobenzoyl)-3-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylazepan-2-one, 1-(4-chlorobenzoyl)-3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]-2-azepanone, 3-(5,6-dimethylthiopheno[3,2-e]pyrimidin-4-ylthio)-1-[(4-chlorophenyl)carbonyl ]azaperhydroepin-2-one
| Molecular Formula | C21H20ClN3O2S2 |
|---|---|
| Molecular Weight | 445.07 g/mol |
| LogP | 5.27514 |
| Topological Polar Surface Area | 63.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 445.06854 |
| Heavy Atoms | 29 |
| Complexity | 1081.4697 |
Chemical Identifiers
| CAS Number | 379243-11-5 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=NC=N2)SC3CCCCN(C3=O)C(=O)C4=CC=C(C=C4)Cl)C |
Product Overview
AF-399/40806207 (CAS 379243-11-5), with molecular formula C21H20ClN3O2S2 and molecular weight 445.07 g/mol. IUPAC: 1-(4-chlorobenzoyl)-3-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylazepan-2-one.
Chemical Property Profile of AF-399/40806207
Property Insights of AF-399/40806207
The XLogP value of 5.27514 indicates that AF-399/40806207 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.16 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40806207. Following Lipinski's Rule of Five, AF-399/40806207 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/40806207?
The CAS number of AF-399/40806207 is 379243-11-5.
What is the molecular formula of AF-399/40806207?
The molecular formula of AF-399/40806207 is C21H20ClN3O2S2.
What is the molecular weight of AF-399/40806207?
The molecular weight of AF-399/40806207 is 445.07 g/mol.
Where can I buy AF-399/40806207?
You can request a quote for AF-399/40806207 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40806207?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40806207 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.