7-chloro-N-phenyl-2-oxabicyclo[4.1.0]heptane-7-carboxamide
TL;DR: 7-chloro-N-phenyl-2-oxabicyclo[4.1.0]heptane-7-carboxamide (CAS 27166-15-0) is a chemical compound with molecular formula C13H14ClNO2 and molecular weight 251.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-N-phenyl-2-oxabicyclo[4.1.0]heptane-7-carboxamide
Also Known As: 7-chloro-n-phenyl-2-oxabicyclo[4.1.0]heptane-7-carboxamide, 7-chloro-N-phenyl-5-oxabicyclo[4.1.0]heptane-7-carboxamide, 7-Chloro-N-phenyl-2-oxabicyclo[4.1.0]heptane-7-carboximidic acid
| Molecular Formula | C13H14ClNO2 |
|---|---|
| Molecular Weight | 251.07 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.0713 |
| Heavy Atoms | 17 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 27166-15-0 |
|---|---|
| SMILES | C1CC2C(C2(C(=O)NC3=CC=CC=C3)Cl)OC1 |
| InChIKey | CZXDNMFZEVEMFS-UHFFFAOYSA-N |
Product Overview
7-chloro-N-phenyl-2-oxabicyclo[4.1.0]heptane-7-carboxamide (CAS 27166-15-0), with molecular formula C13H14ClNO2 and molecular weight 251.07 g/mol. IUPAC: 7-chloro-N-phenyl-2-oxabicyclo[4.1.0]heptane-7-carboxamide.
Chemical Property Profile of 7-chloro-N-phenyl-2-oxabicyclo[4.1.0]heptane-7-carboxamide
Property Insights of 7-chloro-N-phenyl-2-oxabicyclo[4.1.0]heptane-7-carboxamide
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-chloro-N-phenyl-2-oxabicyclo[4.1.0]heptane-7-carboxamide. With a topological polar surface area (TPSA) of 38.3 Ų, 7-chloro-N-phenyl-2-oxabicyclo[4.1.0]heptane-7-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-chloro-N-phenyl-2-oxabicyclo[4.1.0]heptane-7-carboxamide has 1 hydrogen bond donor(s) and 2 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 7-chloro-N-phenyl-2-oxabicyclo[4.1.0]heptane-7-carboxamide?
The CAS number of 7-chloro-N-phenyl-2-oxabicyclo[4.1.0]heptane-7-carboxamide is 27166-15-0.
What is the molecular formula of 7-chloro-N-phenyl-2-oxabicyclo[4.1.0]heptane-7-carboxamide?
The molecular formula of 7-chloro-N-phenyl-2-oxabicyclo[4.1.0]heptane-7-carboxamide is C13H14ClNO2.
What is the molecular weight of 7-chloro-N-phenyl-2-oxabicyclo[4.1.0]heptane-7-carboxamide?
The molecular weight of 7-chloro-N-phenyl-2-oxabicyclo[4.1.0]heptane-7-carboxamide is 251.07 g/mol.
Where can I buy 7-chloro-N-phenyl-2-oxabicyclo[4.1.0]heptane-7-carboxamide?
You can request a quote for 7-chloro-N-phenyl-2-oxabicyclo[4.1.0]heptane-7-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-chloro-N-phenyl-2-oxabicyclo[4.1.0]heptane-7-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 7-chloro-N-phenyl-2-oxabicyclo[4.1.0]heptane-7-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.