苯吗喃
TL;DR: 苯吗喃 (CAS 575-19-9) is a chemical compound with molecular formula C12H15N and molecular weight 173.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯吗喃
10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene
Also Known As: Benzomorphan, 6,7-Benzomorphan, 6,7-benzmorphan, (+-)-Benzomorphan, (+/-)-Benzomorphan
| Molecular Formula | C12H15N |
|---|---|
| Molecular Weight | 173.12 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 173.12045 |
| Heavy Atoms | 13 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 575-19-9 |
|---|---|
| SMILES | C1CNC2CC1C3=CC=CC=C3C2 |
| InChIKey | NSLKFRGZLUIUKO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯吗喃 (CAS 575-19-9), with molecular formula C12H15N and molecular weight 173.12 g/mol. IUPAC: 10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene.
Chemical Property Profile of 苯吗喃
Property Insights of 苯吗喃
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯吗喃. With a topological polar surface area (TPSA) of 12.0 Ų, 苯吗喃 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯吗喃 has 1 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 苯吗喃?
The CAS number of 苯吗喃 is 575-19-9.
What is the molecular formula of 苯吗喃?
The molecular formula of 苯吗喃 is C12H15N.
What is the molecular weight of 苯吗喃?
The molecular weight of 苯吗喃 is 173.12 g/mol.
Where can I buy 苯吗喃?
You can request a quote for 苯吗喃 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯吗喃?
Yes, KEHONG BIO provides custom synthesis services for 苯吗喃 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.