苯并吡喃
TL;DR: 苯并吡喃 (CAS 254-04-6) is a chemical compound with molecular formula C9H8O and molecular weight 132.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯并吡喃
2H-chromene
Also Known As: 2H-Chromene, Benzopyran, 2H-1-BENZOPYRAN, 1,2-Benzopyran, delta-3-Chromene
| Molecular Formula | C9H8O |
|---|---|
| Molecular Weight | 132.06 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 132.05751 |
| Heavy Atoms | 10 |
| Complexity | 140.0 |
Chemical Identifiers
| CAS Number | 254-04-6 |
|---|---|
| SMILES | C1C=CC2=CC=CC=C2O1 |
| InChIKey | KYNSBQPICQTCGU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯并吡喃 (CAS 254-04-6), with molecular formula C9H8O and molecular weight 132.06 g/mol. IUPAC: 2H-chromene.
Chemical Property Profile of 苯并吡喃
Property Insights of 苯并吡喃
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯并吡喃. With a topological polar surface area (TPSA) of 9.2 Ų, 苯并吡喃 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯并吡喃 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 苯并吡喃?
The CAS number of 苯并吡喃 is 254-04-6.
What is the molecular formula of 苯并吡喃?
The molecular formula of 苯并吡喃 is C9H8O.
What is the molecular weight of 苯并吡喃?
The molecular weight of 苯并吡喃 is 132.06 g/mol.
Where can I buy 苯并吡喃?
You can request a quote for 苯并吡喃 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯并吡喃?
Yes, KEHONG BIO provides custom synthesis services for 苯并吡喃 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.