AB00100264-01
TL;DR: AB00100264-01 (CAS 423155-17-3) is a chemical compound with molecular formula C21H22ClN3O4S and molecular weight 447.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-chlorophenyl)-6-methyl-2-sulfanylidene-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
Also Known As: AB00100264-01, F1011-1874, N-(2-chlorophenyl)-6-methyl-2-sulfanylidene-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide, N-(2-chlorophenyl)-6-methyl-2-thioxo-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide, N-(2-chlorophenyl)-6-methyl-2-sulfanylidene-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
| Molecular Formula | C21H22ClN3O4S |
|---|---|
| Molecular Weight | 447.10 g/mol |
| LogP | 3.7973 |
| Topological Polar Surface Area | 80.85 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 447.10196 |
| Heavy Atoms | 30 |
| Complexity | 1000.0562 |
Chemical Identifiers
| CAS Number | 423155-17-3 |
|---|---|
| SMILES | CC1=C(C(NC(=S)N1)C2=CC(=C(C(=C2)OC)OC)OC)C(=O)NC3=CC=CC=C3Cl |
Product Overview
AB00100264-01 (CAS 423155-17-3), with molecular formula C21H22ClN3O4S and molecular weight 447.10 g/mol. IUPAC: N-(2-chlorophenyl)-6-methyl-2-sulfanylidene-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide.
Chemical Property Profile of AB00100264-01
Property Insights of AB00100264-01
The XLogP value of 3.7973 indicates that AB00100264-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.85 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00100264-01. Following Lipinski's Rule of Five, AB00100264-01 has 3 hydrogen bond donor(s) and 5 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 AB00100264-01?
The CAS number of AB00100264-01 is 423155-17-3.
What is the molecular formula of AB00100264-01?
The molecular formula of AB00100264-01 is C21H22ClN3O4S.
What is the molecular weight of AB00100264-01?
The molecular weight of AB00100264-01 is 447.10 g/mol.
Where can I buy AB00100264-01?
You can request a quote for AB00100264-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00100264-01?
Yes, KEHONG BIO provides custom synthesis services for AB00100264-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.