![ethyl 4-chloro-5-methyl-2-[(phenylsulfanyl)methyl]thieno[2,3-d]pyrimidine-6-carboxylate structure](/static/products/7310/731001-96-0.webp)
ethyl 4-chloro-5-methyl-2-[(phenylsulfanyl)methyl]thieno[2,3-d]pyrimidine-6-carboxylate
TL;DR: ethyl 4-chloro-5-methyl-2-[(phenylsulfanyl)methyl]thieno[2,3-d]pyrimidine-6-carboxylate (CAS 731001-96-0) is a chemical compound with molecular formula C17H15ClN2O2S2 and molecular weight 378.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-chloro-5-methyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate
Also Known As: ethyl 4-chloro-5-methyl-2-[(phenylsulfanyl)methyl]thieno[2,3-d]pyrimidine-6-carboxylate, ethyl 4-chloro-5-methyl-2-[(phenylthio)methyl]thieno[2,3-d]pyrimidine-6-carboxylate, AB00776905-01, ethyl 4-chloro-5-methyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate, ethyl4-chloro-5-methyl-2-[(phenylsulfanyl)methyl]thieno[2,3-d]pyrimidine-6-carboxylate
| Molecular Formula | C17H15ClN2O2S2 |
|---|---|
| Molecular Weight | 378.03 g/mol |
| LogP | 5.12212 |
| Topological Polar Surface Area | 52.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 378.02634 |
| Heavy Atoms | 24 |
| Complexity | 881.178 |
Chemical Identifiers
| CAS Number | 731001-96-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(S1)N=C(N=C2Cl)CSC3=CC=CC=C3)C |
Product Overview
ethyl 4-chloro-5-methyl-2-[(phenylsulfanyl)methyl]thieno[2,3-d]pyrimidine-6-carboxylate (CAS 731001-96-0), with molecular formula C17H15ClN2O2S2 and molecular weight 378.03 g/mol. IUPAC: ethyl 4-chloro-5-methyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate.
Chemical Property Profile of ethyl 4-chloro-5-methyl-2-[(phenylsulfanyl)methyl]thieno[2,3-d]pyrimidine-6-carboxylate
Property Insights of ethyl 4-chloro-5-methyl-2-[(phenylsulfanyl)methyl]thieno[2,3-d]pyrimidine-6-carboxylate
The XLogP value of 5.12212 indicates that ethyl 4-chloro-5-methyl-2-[(phenylsulfanyl)methyl]thieno[2,3-d]pyrimidine-6-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.08 Ų, ethyl 4-chloro-5-methyl-2-[(phenylsulfanyl)methyl]thieno[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-methyl-2-[(phenylsulfanyl)methyl]thieno[2,3-d]pyrimidine-6-carboxylate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 4-chloro-5-methyl-2-[(phenylsulfanyl)methyl]thieno[2,3-d]pyrimidine-6-carboxylate?
The CAS number of ethyl 4-chloro-5-methyl-2-[(phenylsulfanyl)methyl]thieno[2,3-d]pyrimidine-6-carboxylate is 731001-96-0.
What is the molecular formula of ethyl 4-chloro-5-methyl-2-[(phenylsulfanyl)methyl]thieno[2,3-d]pyrimidine-6-carboxylate?
The molecular formula of ethyl 4-chloro-5-methyl-2-[(phenylsulfanyl)methyl]thieno[2,3-d]pyrimidine-6-carboxylate is C17H15ClN2O2S2.
What is the molecular weight of ethyl 4-chloro-5-methyl-2-[(phenylsulfanyl)methyl]thieno[2,3-d]pyrimidine-6-carboxylate?
The molecular weight of ethyl 4-chloro-5-methyl-2-[(phenylsulfanyl)methyl]thieno[2,3-d]pyrimidine-6-carboxylate is 378.03 g/mol.
Where can I buy ethyl 4-chloro-5-methyl-2-[(phenylsulfanyl)methyl]thieno[2,3-d]pyrimidine-6-carboxylate?
You can request a quote for ethyl 4-chloro-5-methyl-2-[(phenylsulfanyl)methyl]thieno[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-methyl-2-[(phenylsulfanyl)methyl]thieno[2,3-d]pyrimidine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-chloro-5-methyl-2-[(phenylsulfanyl)methyl]thieno[2,3-d]pyrimidine-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.