Opera_ID_768
TL;DR: Opera_ID_768 (CAS 1164523-76-5) is a chemical compound with molecular formula C15H15NO4S and molecular weight 305.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1S,5R,7R)-4-oxo-3-(thiophen-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate
Also Known As: (3aS,6R,7aR)-methyl 1-oxo-2-(thiophen-2-ylmethyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate, Opera_ID_768
| Molecular Formula | C15H15NO4S |
|---|---|
| Molecular Weight | 305.07 g/mol |
| LogP | 1.2031 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 305.07217 |
| Heavy Atoms | 21 |
| Complexity | 625.6279 |
Chemical Identifiers
| CAS Number | 1164523-76-5 |
|---|---|
| SMILES | COC(=O)C1[C@H]2C=C[C@@]3([C@@H]1C(=O)N(C3)CC4=CC=CS4)O2 |
Product Overview
Opera_ID_768 (CAS 1164523-76-5), with molecular formula C15H15NO4S and molecular weight 305.07 g/mol. IUPAC: methyl (1S,5R,7R)-4-oxo-3-(thiophen-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate.
Chemical Property Profile of Opera_ID_768
Property Insights of Opera_ID_768
The XLogP value of 1.2031 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Opera_ID_768. With a topological polar surface area (TPSA) of 55.84 Ų, Opera_ID_768 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Opera_ID_768 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 Opera_ID_768?
The CAS number of Opera_ID_768 is 1164523-76-5.
What is the molecular formula of Opera_ID_768?
The molecular formula of Opera_ID_768 is C15H15NO4S.
What is the molecular weight of Opera_ID_768?
The molecular weight of Opera_ID_768 is 305.07 g/mol.
Where can I buy Opera_ID_768?
You can request a quote for Opera_ID_768 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Opera_ID_768?
Yes, KEHONG BIO provides custom synthesis services for Opera_ID_768 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.