AF-399/40634504
TL;DR: AF-399/40634504 (CAS 315694-72-5) is a chemical compound with molecular formula C21H13ClN4S3 and molecular weight 452.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene
Also Known As: AF-399/40634504, 1-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-d]pyrimidine, 12-[5-(4-Chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene, 4-{[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidine
| Molecular Formula | C21H13ClN4S3 |
|---|---|
| Molecular Weight | 452.00 g/mol |
| LogP | 6.6563 |
| Topological Polar Surface Area | 51.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 451.99908 |
| Heavy Atoms | 29 |
| Complexity | 1374.4984 |
Chemical Identifiers
| CAS Number | 315694-72-5 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=C2C(=NC=N3)SC4=NC=NC5=C4C(=CS5)C6=CC=C(C=C6)Cl |
Product Overview
AF-399/40634504 (CAS 315694-72-5), with molecular formula C21H13ClN4S3 and molecular weight 452.00 g/mol. IUPAC: 12-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene.
Chemical Property Profile of AF-399/40634504
Property Insights of AF-399/40634504
The XLogP value of 6.6563 indicates that AF-399/40634504 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.56 Ų, AF-399/40634504 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AF-399/40634504 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/40634504?
The CAS number of AF-399/40634504 is 315694-72-5.
What is the molecular formula of AF-399/40634504?
The molecular formula of AF-399/40634504 is C21H13ClN4S3.
What is the molecular weight of AF-399/40634504?
The molecular weight of AF-399/40634504 is 452.00 g/mol.
Where can I buy AF-399/40634504?
You can request a quote for AF-399/40634504 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40634504?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40634504 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.