UPCMLD0ENAT5766160:001
TL;DR: UPCMLD0ENAT5766160:001 (CAS 95473-94-2) is a chemical compound with molecular formula C12H12ClN3OS and molecular weight 281.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-chlorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
Also Known As: UPCMLD0ENAT5766160:001, AN-023/13711034, 4-(2-chlorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide, 4-(2-chlorophenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide, 4-(2-chlorophenyl)-6-methyl-2-sulfanyl-1,4-dihydropyrimidine-5-carboxamide
| Molecular Formula | C12H12ClN3OS |
|---|---|
| Molecular Weight | 281.04 g/mol |
| LogP | 1.6181 |
| Topological Polar Surface Area | 67.15 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 281.03897 |
| Heavy Atoms | 18 |
| Complexity | 556.0084 |
Chemical Identifiers
| CAS Number | 95473-94-2 |
|---|---|
| SMILES | CC1=C(C(NC(=S)N1)C2=CC=CC=C2Cl)C(=O)N |
Product Overview
UPCMLD0ENAT5766160:001 (CAS 95473-94-2), with molecular formula C12H12ClN3OS and molecular weight 281.04 g/mol. IUPAC: 4-(2-chlorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide.
Chemical Property Profile of UPCMLD0ENAT5766160:001
Property Insights of UPCMLD0ENAT5766160:001
The XLogP value of 1.6181 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5766160:001. The TPSA of 67.15 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5766160:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5766160:001 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 UPCMLD0ENAT5766160:001?
The CAS number of UPCMLD0ENAT5766160:001 is 95473-94-2.
What is the molecular formula of UPCMLD0ENAT5766160:001?
The molecular formula of UPCMLD0ENAT5766160:001 is C12H12ClN3OS.
What is the molecular weight of UPCMLD0ENAT5766160:001?
The molecular weight of UPCMLD0ENAT5766160:001 is 281.04 g/mol.
Where can I buy UPCMLD0ENAT5766160:001?
You can request a quote for UPCMLD0ENAT5766160:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5766160:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5766160:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.