RefChem:306388
TL;DR: RefChem:306388 (CAS 67650-58-2) is a chemical compound with molecular formula C14H18ClNO2S and molecular weight 299.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1R,9R,11S,12S)-7-thia-2-azatetracyclo[7.5.0.02,12.04,8]tetradeca-4(8),5-diene-11-carboxylate;hydrochloride
Also Known As: 6,9-Ethanothieno(3,2-f)indolizine-10-carboxylic acid, 4,6,7,8,8a,9-hexahydro-, methyl ester, hydrochloride, (6-alpha,8a-beta,9-alpha,10S*)-, Methyl (6S,8aR,9R,11S)-4,6,7,8,8a,9-hexahydro-6,9-ethanothieno[3,2-f]indolizine-11-carboxylate--hydrogen chloride (1/1), RefChem:306388
| Molecular Formula | C14H18ClNO2S |
|---|---|
| Molecular Weight | 299.07 g/mol |
| LogP | 2.793 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 299.07468 |
| Heavy Atoms | 19 |
| Complexity | 503.39032 |
Chemical Identifiers
| CAS Number | 67650-58-2 |
|---|---|
| SMILES | COC(=O)[C@H]1C[C@@H]2[C@H]3CC[C@@H]1N3CC4=C2SC=C4.Cl |
Product Overview
RefChem:306388 (CAS 67650-58-2), with molecular formula C14H18ClNO2S and molecular weight 299.07 g/mol. IUPAC: methyl (1R,9R,11S,12S)-7-thia-2-azatetracyclo[7.5.0.02,12.04,8]tetradeca-4(8),5-diene-11-carboxylate;hydrochloride.
Chemical Property Profile of RefChem:306388
Property Insights of RefChem:306388
The XLogP value of 2.793 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:306388. With a topological polar surface area (TPSA) of 29.54 Ų, RefChem:306388 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:306388 has 0 hydrogen bond donor(s) and 4 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:306388?
The CAS number of RefChem:306388 is 67650-58-2.
What is the molecular formula of RefChem:306388?
The molecular formula of RefChem:306388 is C14H18ClNO2S.
What is the molecular weight of RefChem:306388?
The molecular weight of RefChem:306388 is 299.07 g/mol.
Where can I buy RefChem:306388?
You can request a quote for RefChem:306388 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:306388?
Yes, KEHONG BIO provides custom synthesis services for RefChem:306388 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.