ASN 12361894
TL;DR: ASN 12361894 (CAS 878701-47-4) is a chemical compound with molecular formula C18H22ClN3O3S and molecular weight 395.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(2-chlorophenyl)-2-oxo-6-(thiomorpholin-4-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: ASN 12361894, ethyl 4-(2-chlorophenyl)-2-oxo-6-[(thiomorpholin-4-yl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate, F6609-0119, ethyl 4-(2-chlorophenyl)-2-oxo-6-(thiomorpholin-4-ylmethyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate, ethyl 4-(2-chlorophenyl)-2-oxo-6-(thiomorpholin-4-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
| Molecular Formula | C18H22ClN3O3S |
|---|---|
| Molecular Weight | 395.11 g/mol |
| LogP | 2.5599 |
| Topological Polar Surface Area | 70.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 395.10703 |
| Heavy Atoms | 26 |
| Complexity | 719.3878 |
Chemical Identifiers
| CAS Number | 878701-47-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2Cl)CN3CCSCC3 |
Product Overview
ASN 12361894 (CAS 878701-47-4), with molecular formula C18H22ClN3O3S and molecular weight 395.11 g/mol. IUPAC: ethyl 4-(2-chlorophenyl)-2-oxo-6-(thiomorpholin-4-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of ASN 12361894
Property Insights of ASN 12361894
The XLogP value of 2.5599 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ASN 12361894. The TPSA of 70.67 Ų falls within the moderate polarity range, balancing permeability and solubility for ASN 12361894. Following Lipinski's Rule of Five, ASN 12361894 has 2 hydrogen bond donor(s) and 5 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 12361894?
The CAS number of ASN 12361894 is 878701-47-4.
What is the molecular formula of ASN 12361894?
The molecular formula of ASN 12361894 is C18H22ClN3O3S.
What is the molecular weight of ASN 12361894?
The molecular weight of ASN 12361894 is 395.11 g/mol.
Where can I buy ASN 12361894?
You can request a quote for ASN 12361894 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ASN 12361894?
Yes, KEHONG BIO provides custom synthesis services for ASN 12361894 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.