![2-Chloro-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine structure](/static/products/4027/40277-57-4.webp)
2-Chloro-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
TL;DR: 2-Chloro-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine (CAS 40277-57-4) is a chemical compound with molecular formula C10H9ClN2S and molecular weight 224.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
Also Known As: 2-chloro-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine, 2-Chloro-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine, A0393/0018104, 2-chloro-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
| Molecular Formula | C10H9ClN2S |
|---|---|
| Molecular Weight | 224.02 g/mol |
| LogP | 3.2235 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 224.0175 |
| Heavy Atoms | 14 |
| Complexity | 492.0728 |
Chemical Identifiers
| CAS Number | 40277-57-4 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=CN=C(N=C3S2)Cl |
Product Overview
2-Chloro-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine (CAS 40277-57-4), with molecular formula C10H9ClN2S and molecular weight 224.02 g/mol. IUPAC: 2-chloro-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine.
Chemical Property Profile of 2-Chloro-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
Property Insights of 2-Chloro-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
The XLogP value of 3.2235 indicates that 2-Chloro-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.78 Ų, 2-Chloro-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine has 0 hydrogen bond donor(s) and 3 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 2-Chloro-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine?
The CAS number of 2-Chloro-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine is 40277-57-4.
What is the molecular formula of 2-Chloro-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine?
The molecular formula of 2-Chloro-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine is C10H9ClN2S.
What is the molecular weight of 2-Chloro-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine?
The molecular weight of 2-Chloro-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine is 224.02 g/mol.
Where can I buy 2-Chloro-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine?
You can request a quote for 2-Chloro-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.