2-氯-6-氟苄醇
TL;DR: 2-氯-6-氟苄醇 (CAS 56456-50-9) is a chemical compound with molecular formula C7H6ClFO and molecular weight 160.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氯-6-氟苄醇
(2-chloro-6-fluorophenyl)methanol
Also Known As: 2-Chloro-6-fluorobenzyl alcohol, (2-Chloro-6-fluorophenyl)methanol, 2-fluoro-6-chlorobenzyl alcohol, 2-Chloro-6-fluorobenzylalcohol, Benzenemethanol, 2-chloro-6-fluoro-
| Molecular Formula | C7H6ClFO |
|---|---|
| Molecular Weight | 160.01 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 160.00912 |
| Heavy Atoms | 10 |
| Complexity | 110.0 |
Chemical Identifiers
| CAS Number | 56456-50-9 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)CO)F |
| InChIKey | ZZFCUESFXBCRSC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-氯-6-氟苄醇 (CAS 56456-50-9), with molecular formula C7H6ClFO and molecular weight 160.01 g/mol. IUPAC: (2-chloro-6-fluorophenyl)methanol.
Chemical Property Profile of 2-氯-6-氟苄醇
Property Insights of 2-氯-6-氟苄醇
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-氯-6-氟苄醇. With a topological polar surface area (TPSA) of 20.2 Ų, 2-氯-6-氟苄醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-氯-6-氟苄醇 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 2-氯-6-氟苄醇?
The CAS number of 2-氯-6-氟苄醇 is 56456-50-9.
What is the molecular formula of 2-氯-6-氟苄醇?
The molecular formula of 2-氯-6-氟苄醇 is C7H6ClFO.
What is the molecular weight of 2-氯-6-氟苄醇?
The molecular weight of 2-氯-6-氟苄醇 is 160.01 g/mol.
Where can I buy 2-氯-6-氟苄醇?
You can request a quote for 2-氯-6-氟苄醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-氯-6-氟苄醇?
Yes, KEHONG BIO provides custom synthesis services for 2-氯-6-氟苄醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.