AB00099790-01
TL;DR: AB00099790-01 (CAS 438484-12-9) is a chemical compound with molecular formula C20H21ClN4OS and molecular weight 400.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-chlorophenyl)-4-[4-(dimethylamino)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
Also Known As: AB00099790-01, F0462-0657, N-(2-chlorophenyl)-4-(4-(dimethylamino)phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide, N-(2-chlorophenyl)-4-[4-(dimethylamino)phenyl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide, N-(2-chlorophenyl)-4-(4-dimethylaminophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
| Molecular Formula | C20H21ClN4OS |
|---|---|
| Molecular Weight | 400.11 g/mol |
| LogP | 3.8375 |
| Topological Polar Surface Area | 56.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 400.11246 |
| Heavy Atoms | 27 |
| Complexity | 908.45264 |
Chemical Identifiers
| CAS Number | 438484-12-9 |
|---|---|
| SMILES | CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)N(C)C)C(=O)NC3=CC=CC=C3Cl |
Product Overview
AB00099790-01 (CAS 438484-12-9), with molecular formula C20H21ClN4OS and molecular weight 400.11 g/mol. IUPAC: N-(2-chlorophenyl)-4-[4-(dimethylamino)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide.
Chemical Property Profile of AB00099790-01
Property Insights of AB00099790-01
The XLogP value of 3.8375 indicates that AB00099790-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.4 Ų, AB00099790-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00099790-01 has 3 hydrogen bond donor(s) and 3 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 AB00099790-01?
The CAS number of AB00099790-01 is 438484-12-9.
What is the molecular formula of AB00099790-01?
The molecular formula of AB00099790-01 is C20H21ClN4OS.
What is the molecular weight of AB00099790-01?
The molecular weight of AB00099790-01 is 400.11 g/mol.
Where can I buy AB00099790-01?
You can request a quote for AB00099790-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00099790-01?
Yes, KEHONG BIO provides custom synthesis services for AB00099790-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.