AB00114873-01
TL;DR: AB00114873-01 (CAS 431074-13-4) is a chemical compound with molecular formula C21H23N3O4S and molecular weight 413.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,5-dimethoxyphenyl)-4-(2-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
Also Known As: AB00114873-01, F1043-0414, N-(2,5-dimethoxyphenyl)-4-(2-methoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide, N-(2,5-dimethoxyphenyl)-4-(2-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide, N-(2,5-dimethoxyphenyl)-4-(2-methoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
| Molecular Formula | C21H23N3O4S |
|---|---|
| Molecular Weight | 413.14 g/mol |
| LogP | 3.1439 |
| Topological Polar Surface Area | 80.85 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 413.14093 |
| Heavy Atoms | 29 |
| Complexity | 974.1486 |
Chemical Identifiers
| CAS Number | 431074-13-4 |
|---|---|
| SMILES | CC1=C(C(NC(=S)N1)C2=CC=CC=C2OC)C(=O)NC3=C(C=CC(=C3)OC)OC |
Product Overview
AB00114873-01 (CAS 431074-13-4), with molecular formula C21H23N3O4S and molecular weight 413.14 g/mol. IUPAC: N-(2,5-dimethoxyphenyl)-4-(2-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide.
Chemical Property Profile of AB00114873-01
Property Insights of AB00114873-01
The XLogP value of 3.1439 indicates that AB00114873-01 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 AB00114873-01. Following Lipinski's Rule of Five, AB00114873-01 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 AB00114873-01?
The CAS number of AB00114873-01 is 431074-13-4.
What is the molecular formula of AB00114873-01?
The molecular formula of AB00114873-01 is C21H23N3O4S.
What is the molecular weight of AB00114873-01?
The molecular weight of AB00114873-01 is 413.14 g/mol.
Where can I buy AB00114873-01?
You can request a quote for AB00114873-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00114873-01?
Yes, KEHONG BIO provides custom synthesis services for AB00114873-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.