3-苯并𫫇庚因
TL;DR: 3-苯并𫫇庚因 (CAS 264-13-1) is a chemical compound with molecular formula C10H8O and molecular weight 144.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-苯并𫫇庚因
3-benzoxepine
Also Known As: 3-Benzoxepin, 3-benzoxepine, benzo[d]oxepine, 4,5-Benzooxepin, J2.058.112C
| Molecular Formula | C10H8O |
|---|---|
| Molecular Weight | 144.06 g/mol |
| LogP | 2.6582 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 144.05751 |
| Heavy Atoms | 11 |
| Complexity | 279.40375 |
Chemical Identifiers
| CAS Number | 264-13-1 |
|---|---|
| SMILES | C1=CC=C2C=COC=CC2=C1 |
Product Overview
3-苯并𫫇庚因 (CAS 264-13-1), with molecular formula C10H8O and molecular weight 144.06 g/mol. IUPAC: 3-benzoxepine.
Chemical Property Profile of 3-苯并𫫇庚因
Property Insights of 3-苯并𫫇庚因
The XLogP value of 2.6582 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-苯并𫫇庚因. With a topological polar surface area (TPSA) of 9.23 Ų, 3-苯并𫫇庚因 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-苯并𫫇庚因 has 0 hydrogen bond donor(s) and 1 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 3-苯并𫫇庚因?
The CAS number of 3-苯并𫫇庚因 is 264-13-1.
What is the molecular formula of 3-苯并𫫇庚因?
The molecular formula of 3-苯并𫫇庚因 is C10H8O.
What is the molecular weight of 3-苯并𫫇庚因?
The molecular weight of 3-苯并𫫇庚因 is 144.06 g/mol.
Where can I buy 3-苯并𫫇庚因?
You can request a quote for 3-苯并𫫇庚因 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-苯并𫫇庚因?
Yes, KEHONG BIO provides custom synthesis services for 3-苯并𫫇庚因 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.