AS-871/41346191
TL;DR: AS-871/41346191 (CAS 537002-99-6) is a chemical compound with molecular formula C14H14Cl2N2O2S and molecular weight 344.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-(2,3-dichlorophenyl)-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate
Also Known As: AS-871/41346191, methyl 6-(2,3-dichlorophenyl)-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate, methyl 4-(2,3-dichlorophenyl)-1,6-dimethyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate, methyl 4-(2,3-dichlorophenyl)-1,6-dimethyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
| Molecular Formula | C14H14Cl2N2O2S |
|---|---|
| Molecular Weight | 344.02 g/mol |
| LogP | 3.3014 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 344.0153 |
| Heavy Atoms | 21 |
| Complexity | 645.8612 |
Chemical Identifiers
| CAS Number | 537002-99-6 |
|---|---|
| SMILES | CC1=C(C(NC(=S)N1C)C2=C(C(=CC=C2)Cl)Cl)C(=O)OC |
Product Overview
AS-871/41346191 (CAS 537002-99-6), with molecular formula C14H14Cl2N2O2S and molecular weight 344.02 g/mol. IUPAC: methyl 6-(2,3-dichlorophenyl)-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate.
Chemical Property Profile of AS-871/41346191
Property Insights of AS-871/41346191
The XLogP value of 3.3014 indicates that AS-871/41346191 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.57 Ų, AS-871/41346191 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AS-871/41346191 has 1 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 AS-871/41346191?
The CAS number of AS-871/41346191 is 537002-99-6.
What is the molecular formula of AS-871/41346191?
The molecular formula of AS-871/41346191 is C14H14Cl2N2O2S.
What is the molecular weight of AS-871/41346191?
The molecular weight of AS-871/41346191 is 344.02 g/mol.
Where can I buy AS-871/41346191?
You can request a quote for AS-871/41346191 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/41346191?
Yes, KEHONG BIO provides custom synthesis services for AS-871/41346191 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.