AB00110023-01
TL;DR: AB00110023-01 (CAS 330202-16-9) is a chemical compound with molecular formula C20H18F3N3OS and molecular weight 405.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-N-(2-methylphenyl)-2-sulfanylidene-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
Also Known As: AB00110023-01, AJ-292/40647016, 6-methyl-N-(2-methylphenyl)-2-sulfanylidene-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide, 6-methyl-N-(2-methylphenyl)-2-thioxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxamide, 6-METHYL-N-(2-METHYLPHENYL)-2-SULFANYLIDENE-4-[4-(TRIFLUOROMETHYL)PHENYL]-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXAMIDE
| Molecular Formula | C20H18F3N3OS |
|---|---|
| Molecular Weight | 405.11 g/mol |
| LogP | 4.44532 |
| Topological Polar Surface Area | 53.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 405.11227 |
| Heavy Atoms | 28 |
| Complexity | 951.91345 |
Chemical Identifiers
| CAS Number | 330202-16-9 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)C2=C(NC(=S)NC2C3=CC=C(C=C3)C(F)(F)F)C |
Product Overview
AB00110023-01 (CAS 330202-16-9), with molecular formula C20H18F3N3OS and molecular weight 405.11 g/mol. IUPAC: 6-methyl-N-(2-methylphenyl)-2-sulfanylidene-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide.
Chemical Property Profile of AB00110023-01
Property Insights of AB00110023-01
The XLogP value of 4.44532 indicates that AB00110023-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.16 Ų, AB00110023-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00110023-01 has 3 hydrogen bond donor(s) and 2 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 AB00110023-01?
The CAS number of AB00110023-01 is 330202-16-9.
What is the molecular formula of AB00110023-01?
The molecular formula of AB00110023-01 is C20H18F3N3OS.
What is the molecular weight of AB00110023-01?
The molecular weight of AB00110023-01 is 405.11 g/mol.
Where can I buy AB00110023-01?
You can request a quote for AB00110023-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00110023-01?
Yes, KEHONG BIO provides custom synthesis services for AB00110023-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.