RefChem:813664
TL;DR: RefChem:813664 (CAS 565166-96-3) is a chemical compound with molecular formula C10H9ClN2O3S and molecular weight 272.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(chloromethyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
Also Known As: methyl 2-(chloromethyl)-4-hydroxy-5-methylthieno[2,3-d]pyrimidine-6-carboxylate, 2-Chloromethyl-5-methyl-4-oxo-3,4-dihydro-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester, COC(=O)C1=C(C)C2=C(S1)N=C(CCl)N=C2O, methyl 2-(chloromethyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate, methyl 2-(chloromethyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
| Molecular Formula | C10H9ClN2O3S |
|---|---|
| Molecular Weight | 272.00 g/mol |
| LogP | 1.81842 |
| Topological Polar Surface Area | 72.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.00223 |
| Heavy Atoms | 17 |
| Complexity | 646.7738 |
Chemical Identifiers
| CAS Number | 565166-96-3 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)NC(=N2)CCl)C(=O)OC |
Product Overview
RefChem:813664 (CAS 565166-96-3), with molecular formula C10H9ClN2O3S and molecular weight 272.00 g/mol. IUPAC: methyl 2-(chloromethyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate.
Chemical Property Profile of RefChem:813664
Property Insights of RefChem:813664
The XLogP value of 1.81842 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:813664. The TPSA of 72.05 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:813664. Following Lipinski's Rule of Five, RefChem:813664 has 1 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 RefChem:813664?
The CAS number of RefChem:813664 is 565166-96-3.
What is the molecular formula of RefChem:813664?
The molecular formula of RefChem:813664 is C10H9ClN2O3S.
What is the molecular weight of RefChem:813664?
The molecular weight of RefChem:813664 is 272.00 g/mol.
Where can I buy RefChem:813664?
You can request a quote for RefChem:813664 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:813664?
Yes, KEHONG BIO provides custom synthesis services for RefChem:813664 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.