AB00668391-01
TL;DR: AB00668391-01 (CAS 254880-63-2) is a chemical compound with molecular formula C13H9ClFN3O2S and molecular weight 325.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-fluorophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
Also Known As: AB00668391-01, F0550-0106, N-(3-chloro-4-fluorophenyl)-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide, N6-(3-chloro-4-fluorophenyl)-5-oxo-2,3-dihydro-5H-pyrimido[2,1-b][1,3]thiazole-6-carboxamide, N-(3-chloro-4-fluorophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
| Molecular Formula | C13H9ClFN3O2S |
|---|---|
| Molecular Weight | 325.01 g/mol |
| LogP | 2.3938 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 325.0088 |
| Heavy Atoms | 21 |
| Complexity | 793.4712 |
Chemical Identifiers
| CAS Number | 254880-63-2 |
|---|---|
| SMILES | C1CSC2=NC=C(C(=O)N21)C(=O)NC3=CC(=C(C=C3)F)Cl |
Product Overview
AB00668391-01 (CAS 254880-63-2), with molecular formula C13H9ClFN3O2S and molecular weight 325.01 g/mol. IUPAC: N-(3-chloro-4-fluorophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
Chemical Property Profile of AB00668391-01
Property Insights of AB00668391-01
The XLogP value of 2.3938 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00668391-01. The TPSA of 63.99 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00668391-01. Following Lipinski's Rule of Five, AB00668391-01 has 1 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 AB00668391-01?
The CAS number of AB00668391-01 is 254880-63-2.
What is the molecular formula of AB00668391-01?
The molecular formula of AB00668391-01 is C13H9ClFN3O2S.
What is the molecular weight of AB00668391-01?
The molecular weight of AB00668391-01 is 325.01 g/mol.
Where can I buy AB00668391-01?
You can request a quote for AB00668391-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00668391-01?
Yes, KEHONG BIO provides custom synthesis services for AB00668391-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.