C12H17ClN2O2S
TL;DR: C12H17ClN2O2S (CAS 112290-27-4) is a chemical compound with molecular formula C12H17ClN2O2S and molecular weight 288.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-amino-3-thia-1-azatricyclo[5.2.2.02,6]undeca-2(6),4-diene-5-carboxylate;hydrochloride
Also Known As: RCL R102350, ethyl 2-amino-5,6-dihydro-4H-4,7-ethanothieno[2,3-b]pyridine-3-carboxylate hydrochloride
| Molecular Formula | C12H17ClN2O2S |
|---|---|
| Molecular Weight | 288.07 g/mol |
| LogP | 2.6262 |
| Topological Polar Surface Area | 55.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 288.06992 |
| Heavy Atoms | 18 |
| Complexity | 466.88763 |
Chemical Identifiers
| CAS Number | 112290-27-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1C3CCN2CC3)N.Cl |
Product Overview
C12H17ClN2O2S (CAS 112290-27-4), with molecular formula C12H17ClN2O2S and molecular weight 288.07 g/mol. IUPAC: ethyl 4-amino-3-thia-1-azatricyclo[5.2.2.02,6]undeca-2(6),4-diene-5-carboxylate;hydrochloride.
Chemical Property Profile of C12H17ClN2O2S
Property Insights of C12H17ClN2O2S
The XLogP value of 2.6262 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C12H17ClN2O2S. With a topological polar surface area (TPSA) of 55.56 Ų, C12H17ClN2O2S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C12H17ClN2O2S 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 C12H17ClN2O2S?
The CAS number of C12H17ClN2O2S is 112290-27-4.
What is the molecular formula of C12H17ClN2O2S?
The molecular formula of C12H17ClN2O2S is C12H17ClN2O2S.
What is the molecular weight of C12H17ClN2O2S?
The molecular weight of C12H17ClN2O2S is 288.07 g/mol.
Where can I buy C12H17ClN2O2S?
You can request a quote for C12H17ClN2O2S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C12H17ClN2O2S?
Yes, KEHONG BIO provides custom synthesis services for C12H17ClN2O2S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.