AB00099584-01
TL;DR: AB00099584-01 (CAS 438479-91-5) is a chemical compound with molecular formula C20H20ClN3O3S and molecular weight 417.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-chlorophenyl)-4-(2,5-dimethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
Also Known As: AB00099584-01, F1011-1842, 6-(2,5-dimethoxyphenyl)-4-methyl-N-(2-chlorophenyl)-2-thioxo-1,2,3,6-tetrahydropyrimidine-5-carboxamide, N-(2-chlorophenyl)-4-(2,5-dimethoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide, N-(2-chlorophenyl)-4-(2,5-dimethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
| Molecular Formula | C20H20ClN3O3S |
|---|---|
| Molecular Weight | 417.09 g/mol |
| LogP | 3.7887 |
| Topological Polar Surface Area | 71.62 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.0914 |
| Heavy Atoms | 28 |
| Complexity | 961.46216 |
Chemical Identifiers
| CAS Number | 438479-91-5 |
|---|---|
| SMILES | CC1=C(C(NC(=S)N1)C2=C(C=CC(=C2)OC)OC)C(=O)NC3=CC=CC=C3Cl |
Product Overview
AB00099584-01 (CAS 438479-91-5), with molecular formula C20H20ClN3O3S and molecular weight 417.09 g/mol. IUPAC: N-(2-chlorophenyl)-4-(2,5-dimethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide.
Chemical Property Profile of AB00099584-01
Property Insights of AB00099584-01
The XLogP value of 3.7887 indicates that AB00099584-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.62 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00099584-01. Following Lipinski's Rule of Five, AB00099584-01 has 3 hydrogen bond donor(s) and 4 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 AB00099584-01?
The CAS number of AB00099584-01 is 438479-91-5.
What is the molecular formula of AB00099584-01?
The molecular formula of AB00099584-01 is C20H20ClN3O3S.
What is the molecular weight of AB00099584-01?
The molecular weight of AB00099584-01 is 417.09 g/mol.
Where can I buy AB00099584-01?
You can request a quote for AB00099584-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00099584-01?
Yes, KEHONG BIO provides custom synthesis services for AB00099584-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.