ASN 12361991
TL;DR: ASN 12361991 (CAS 878702-85-3) is a chemical compound with molecular formula C20H17ClN4O3 and molecular weight 396.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-(benzimidazol-1-ylmethyl)-4-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: ASN 12361991, methyl (4R)-6-(benzimidazol-1-ylmethyl)-4-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate, methyl 6-(1H-benzimidazol-1-ylmethyl)-4-(4-chlorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, methyl 6-(benzimidazol-1-ylmethyl)-4-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate, METHYL 6-[(1H-1,3-BENZODIAZOL-1-YL)METHYL]-4-(4-CHLOROPHENYL)-2-OXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE
| Molecular Formula | C20H17ClN4O3 |
|---|---|
| Molecular Weight | 396.10 g/mol |
| LogP | 3.1709 |
| Topological Polar Surface Area | 85.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 396.0989 |
| Heavy Atoms | 28 |
| Complexity | 1088.2837 |
Chemical Identifiers
| CAS Number | 878702-85-3 |
|---|---|
| SMILES | COC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)Cl)CN3C=NC4=CC=CC=C43 |
Product Overview
ASN 12361991 (CAS 878702-85-3), with molecular formula C20H17ClN4O3 and molecular weight 396.10 g/mol. IUPAC: methyl 6-(benzimidazol-1-ylmethyl)-4-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of ASN 12361991
Property Insights of ASN 12361991
The XLogP value of 3.1709 indicates that ASN 12361991 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.25 Ų falls within the moderate polarity range, balancing permeability and solubility for ASN 12361991. Following Lipinski's Rule of Five, ASN 12361991 has 2 hydrogen bond donor(s) and 4 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 ASN 12361991?
The CAS number of ASN 12361991 is 878702-85-3.
What is the molecular formula of ASN 12361991?
The molecular formula of ASN 12361991 is C20H17ClN4O3.
What is the molecular weight of ASN 12361991?
The molecular weight of ASN 12361991 is 396.10 g/mol.
Where can I buy ASN 12361991?
You can request a quote for ASN 12361991 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ASN 12361991?
Yes, KEHONG BIO provides custom synthesis services for ASN 12361991 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.