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Ethyl 4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
TL;DR: Ethyl 4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carboxylate (CAS 101667-98-5) is a chemical compound with molecular formula C10H9ClN2O2S and molecular weight 256.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
Also Known As: ethyl 4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carboxylate, Thieno[2,3-d]pyrimidine-6-carboxylic acid, 4-chloro-5-methyl-, ethyl ester, Ethyl 4-chloro-5-methylthieno-[2,3-d]pyrimidine-6-carboxylate, Ethyl 4-chloro-5-methylthieno[2,3-d]pyrimidine-6-c, Thieno[2,3-d]pyrimidine-6-carboxylicacid, 4-chloro-5-methyl-, ethyl ester
| Molecular Formula | C10H9ClN2O2S |
|---|---|
| Molecular Weight | 256.01 g/mol |
| LogP | 2.82982 |
| Topological Polar Surface Area | 52.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.00732 |
| Heavy Atoms | 16 |
| Complexity | 552.98773 |
Chemical Identifiers
| CAS Number | 101667-98-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(S1)N=CN=C2Cl)C |
Product Overview
Ethyl 4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carboxylate (CAS 101667-98-5), with molecular formula C10H9ClN2O2S and molecular weight 256.01 g/mol. IUPAC: ethyl 4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carboxylate.
Chemical Property Profile of Ethyl 4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
Property Insights of Ethyl 4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
The XLogP value of 2.82982 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carboxylate. With a topological polar surface area (TPSA) of 52.08 Ų, Ethyl 4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carboxylate has 0 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 Ethyl 4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carboxylate?
The CAS number of Ethyl 4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carboxylate is 101667-98-5.
What is the molecular formula of Ethyl 4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carboxylate?
The molecular formula of Ethyl 4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carboxylate is C10H9ClN2O2S.
What is the molecular weight of Ethyl 4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carboxylate?
The molecular weight of Ethyl 4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carboxylate is 256.01 g/mol.
Where can I buy Ethyl 4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carboxylate?
You can request a quote for Ethyl 4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.