AF-399/13041021
TL;DR: AF-399/13041021 (CAS 330189-45-2) is a chemical compound with molecular formula C21H19FN2OS and molecular weight 366.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-fluorophenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinazoline-4-thione
Also Known As: AF-399/13041021, F0332-0006, 2-(4-fluorophenyl)-1-(4-methoxyphenyl)-1,4,5,6,7,8-hexahydroquinazoline-4-thione, 2-(4-fluorophenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione, 2-(4-fluorophenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinazoline-4-thione
| Molecular Formula | C21H19FN2OS |
|---|---|
| Molecular Weight | 366.12 g/mol |
| LogP | 5.29529 |
| Topological Polar Surface Area | 27.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 366.1202 |
| Heavy Atoms | 26 |
| Complexity | 994.25995 |
Chemical Identifiers
| CAS Number | 330189-45-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C3=C(CCCC3)C(=S)N=C2C4=CC=C(C=C4)F |
Product Overview
AF-399/13041021 (CAS 330189-45-2), with molecular formula C21H19FN2OS and molecular weight 366.12 g/mol. IUPAC: 2-(4-fluorophenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinazoline-4-thione.
Chemical Property Profile of AF-399/13041021
Property Insights of AF-399/13041021
The XLogP value of 5.29529 indicates that AF-399/13041021 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.05 Ų, AF-399/13041021 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AF-399/13041021 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/13041021?
The CAS number of AF-399/13041021 is 330189-45-2.
What is the molecular formula of AF-399/13041021?
The molecular formula of AF-399/13041021 is C21H19FN2OS.
What is the molecular weight of AF-399/13041021?
The molecular weight of AF-399/13041021 is 366.12 g/mol.
Where can I buy AF-399/13041021?
You can request a quote for AF-399/13041021 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/13041021?
Yes, KEHONG BIO provides custom synthesis services for AF-399/13041021 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.