AF-399/12152035
TL;DR: AF-399/12152035 (CAS 324036-22-8) is a chemical compound with molecular formula C17H15N3O3S2 and molecular weight 373.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-nitrophenyl)methylsulfanyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: AF-399/12152035, 2-((4-nitrobenzyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one, F0360-0009, 5,6,7,8-Tetrahydro-2-[[(4-nitrophenyl)methyl]thio][1]benzothieno[2,3-d]pyrimidin-4(1H)-one, 2-[(4-nitrophenyl)methylsulfanyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
| Molecular Formula | C17H15N3O3S2 |
|---|---|
| Molecular Weight | 373.06 g/mol |
| LogP | 4.0639 |
| Topological Polar Surface Area | 88.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 373.05548 |
| Heavy Atoms | 25 |
| Complexity | 1008.39026 |
Chemical Identifiers
| CAS Number | 324036-22-8 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)SCC4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
AF-399/12152035 (CAS 324036-22-8), with molecular formula C17H15N3O3S2 and molecular weight 373.06 g/mol. IUPAC: 2-[(4-nitrophenyl)methylsulfanyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of AF-399/12152035
Property Insights of AF-399/12152035
The XLogP value of 4.0639 indicates that AF-399/12152035 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.89 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/12152035. Following Lipinski's Rule of Five, AF-399/12152035 has 1 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-399/12152035?
The CAS number of AF-399/12152035 is 324036-22-8.
What is the molecular formula of AF-399/12152035?
The molecular formula of AF-399/12152035 is C17H15N3O3S2.
What is the molecular weight of AF-399/12152035?
The molecular weight of AF-399/12152035 is 373.06 g/mol.
Where can I buy AF-399/12152035?
You can request a quote for AF-399/12152035 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/12152035?
Yes, KEHONG BIO provides custom synthesis services for AF-399/12152035 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.