AB00116222-01
TL;DR: AB00116222-01 (CAS 431918-99-9) is a chemical compound with molecular formula C22H25N3O5S and molecular weight 443.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,4-dimethoxyphenyl)-4-(2,5-dimethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
Also Known As: AB00116222-01, N-(2,4-dimethoxyphenyl)-4-(2,5-dimethoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide, F1043-0342, N-(2,4-dimethoxyphenyl)-4-(2,5-dimethoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide, N-(2,4-dimethoxyphenyl)-4-(2,5-dimethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
| Molecular Formula | C22H25N3O5S |
|---|---|
| Molecular Weight | 443.15 g/mol |
| LogP | 3.1525 |
| Topological Polar Surface Area | 90.08 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 443.1515 |
| Heavy Atoms | 31 |
| Complexity | 1037.8016 |
Chemical Identifiers
| CAS Number | 431918-99-9 |
|---|---|
| SMILES | CC1=C(C(NC(=S)N1)C2=C(C=CC(=C2)OC)OC)C(=O)NC3=C(C=C(C=C3)OC)OC |
Product Overview
AB00116222-01 (CAS 431918-99-9), with molecular formula C22H25N3O5S and molecular weight 443.15 g/mol. IUPAC: N-(2,4-dimethoxyphenyl)-4-(2,5-dimethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide.
Chemical Property Profile of AB00116222-01
Property Insights of AB00116222-01
The XLogP value of 3.1525 indicates that AB00116222-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.08 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00116222-01. Following Lipinski's Rule of Five, AB00116222-01 has 3 hydrogen bond donor(s) and 6 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 AB00116222-01?
The CAS number of AB00116222-01 is 431918-99-9.
What is the molecular formula of AB00116222-01?
The molecular formula of AB00116222-01 is C22H25N3O5S.
What is the molecular weight of AB00116222-01?
The molecular weight of AB00116222-01 is 443.15 g/mol.
Where can I buy AB00116222-01?
You can request a quote for AB00116222-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00116222-01?
Yes, KEHONG BIO provides custom synthesis services for AB00116222-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.