AB00090136-01
TL;DR: AB00090136-01 (CAS 418797-80-5) is a chemical compound with molecular formula C20H20FN3O3S and molecular weight 401.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,3-dimethoxyphenyl)-N-(4-fluorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
Also Known As: AB00090136-01, 4-(2,3-dimethoxyphenyl)-N-(4-fluorophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide, 4-(2,3-dimethoxyphenyl)-N-(4-fluorophenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide, F1222-0416, 4-(2,3-dimethoxyphenyl)-N-(4-fluorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
| Molecular Formula | C20H20FN3O3S |
|---|---|
| Molecular Weight | 401.12 g/mol |
| LogP | 3.2744 |
| Topological Polar Surface Area | 71.62 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.12094 |
| Heavy Atoms | 28 |
| Complexity | 944.21216 |
Chemical Identifiers
| CAS Number | 418797-80-5 |
|---|---|
| SMILES | CC1=C(C(NC(=S)N1)C2=C(C(=CC=C2)OC)OC)C(=O)NC3=CC=C(C=C3)F |
Product Overview
AB00090136-01 (CAS 418797-80-5), with molecular formula C20H20FN3O3S and molecular weight 401.12 g/mol. IUPAC: 4-(2,3-dimethoxyphenyl)-N-(4-fluorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide.
Chemical Property Profile of AB00090136-01
Property Insights of AB00090136-01
The XLogP value of 3.2744 indicates that AB00090136-01 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 AB00090136-01. Following Lipinski's Rule of Five, AB00090136-01 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 AB00090136-01?
The CAS number of AB00090136-01 is 418797-80-5.
What is the molecular formula of AB00090136-01?
The molecular formula of AB00090136-01 is C20H20FN3O3S.
What is the molecular weight of AB00090136-01?
The molecular weight of AB00090136-01 is 401.12 g/mol.
Where can I buy AB00090136-01?
You can request a quote for AB00090136-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00090136-01?
Yes, KEHONG BIO provides custom synthesis services for AB00090136-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.