AA-516/12432272
TL;DR: AA-516/12432272 (CAS 337470-31-2) is a chemical compound with molecular formula C18H15Cl2N3OS and molecular weight 391.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-chlorophenyl)-4-(4-chlorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
Also Known As: AA-516/12432272, N-(2-chlorophenyl)-4-(4-chlorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide, N-(2-chlorophenyl)-4-(4-chlorophenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide
| Molecular Formula | C18H15Cl2N3OS |
|---|---|
| Molecular Weight | 391.03 g/mol |
| LogP | 4.4249 |
| Topological Polar Surface Area | 53.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 391.03128 |
| Heavy Atoms | 25 |
| Complexity | 864.8798 |
Chemical Identifiers
| CAS Number | 337470-31-2 |
|---|---|
| SMILES | CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)Cl)C(=O)NC3=CC=CC=C3Cl |
Product Overview
AA-516/12432272 (CAS 337470-31-2), with molecular formula C18H15Cl2N3OS and molecular weight 391.03 g/mol. IUPAC: N-(2-chlorophenyl)-4-(4-chlorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide.
Chemical Property Profile of AA-516/12432272
Property Insights of AA-516/12432272
The XLogP value of 4.4249 indicates that AA-516/12432272 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.16 Ų, AA-516/12432272 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AA-516/12432272 has 3 hydrogen bond donor(s) and 2 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 AA-516/12432272?
The CAS number of AA-516/12432272 is 337470-31-2.
What is the molecular formula of AA-516/12432272?
The molecular formula of AA-516/12432272 is C18H15Cl2N3OS.
What is the molecular weight of AA-516/12432272?
The molecular weight of AA-516/12432272 is 391.03 g/mol.
Where can I buy AA-516/12432272?
You can request a quote for AA-516/12432272 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AA-516/12432272?
Yes, KEHONG BIO provides custom synthesis services for AA-516/12432272 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.