Opera_ID_1339
TL;DR: Opera_ID_1339 (CAS 1164532-96-0) is a chemical compound with molecular formula C15H17NO2S and molecular weight 275.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(1E)-1-[(1S,5R)-6,6-dimethyl-3-oxo-2-bicyclo[3.1.0]hexanylidene]ethyl]thiophene-2-carboxamide
Also Known As: N-((E)-1-((1S,5R)-6,6-dimethyl-3-oxobicyclo[3.1.0]hexan-2-ylidene)ethyl)thiophene-2-carboxamide, N-[(1E)-1-[(1R,5S)-6,6-dimethyl-3-oxo-4-bicyclo[3.1.0]hexanylidene]ethyl]thiophene-2-carboxamide, N-{(1E)-1-[(1S,5R)-6,6-dimethyl-3-oxobicyclo[3.1.0]hex-2-ylidene]ethyl}thiophene-2-carboxamide, Opera_ID_1339, REGID_for_CID_660030
| Molecular Formula | C15H17NO2S |
|---|---|
| Molecular Weight | 275.10 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 74.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 275.098 |
| Heavy Atoms | 19 |
| Complexity | 481.0 |
Chemical Identifiers
| CAS Number | 1164532-96-0 |
|---|---|
| SMILES | C/C(=C\1/[C@H]2[C@H](C2(C)C)CC1=O)/NC(=O)C3=CC=CS3 |
| InChIKey | BTGZWBYRCPGBLS-PPZQOGLRSA-N |
Product Overview
Opera_ID_1339 (CAS 1164532-96-0), with molecular formula C15H17NO2S and molecular weight 275.10 g/mol. IUPAC: N-[(1E)-1-[(1S,5R)-6,6-dimethyl-3-oxo-2-bicyclo[3.1.0]hexanylidene]ethyl]thiophene-2-carboxamide.
Chemical Property Profile of Opera_ID_1339
Property Insights of Opera_ID_1339
The XLogP value of 3.0 indicates that Opera_ID_1339 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Opera_ID_1339. Following Lipinski's Rule of Five, Opera_ID_1339 has 1 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 Opera_ID_1339?
The CAS number of Opera_ID_1339 is 1164532-96-0.
What is the molecular formula of Opera_ID_1339?
The molecular formula of Opera_ID_1339 is C15H17NO2S.
What is the molecular weight of Opera_ID_1339?
The molecular weight of Opera_ID_1339 is 275.10 g/mol.
Where can I buy Opera_ID_1339?
You can request a quote for Opera_ID_1339 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Opera_ID_1339?
Yes, KEHONG BIO provides custom synthesis services for Opera_ID_1339 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.