3,3-Difluoroheptane-1,2-diol
TL;DR: 3,3-Difluoroheptane-1,2-diol (CAS 158358-96-4) is a chemical compound with molecular formula C7H14F2O2 and molecular weight 168.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-difluoroheptane-1,2-diol
Also Known As: 3,3-difluoroheptane-1,2-diol, (2R)-3,3-DIFLUOROHEPTANE-1,2-DIOL, (R)-(+)-3,3-Difluoro-1,2-heptanediol
| Molecular Formula | C7H14F2O2 |
|---|---|
| Molecular Weight | 168.10 g/mol |
| LogP | 1.1651 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 168.09619 |
| Heavy Atoms | 11 |
| Complexity | 106.61369 |
Chemical Identifiers
| CAS Number | 158358-96-4 |
|---|---|
| SMILES | CCCCC(C(CO)O)(F)F |
Product Overview
3,3-Difluoroheptane-1,2-diol (CAS 158358-96-4), with molecular formula C7H14F2O2 and molecular weight 168.10 g/mol. IUPAC: 3,3-difluoroheptane-1,2-diol.
Chemical Property Profile of 3,3-Difluoroheptane-1,2-diol
Property Insights of 3,3-Difluoroheptane-1,2-diol
The XLogP value of 1.1651 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Difluoroheptane-1,2-diol. With a topological polar surface area (TPSA) of 40.46 Ų, 3,3-Difluoroheptane-1,2-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Difluoroheptane-1,2-diol has 2 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 3,3-Difluoroheptane-1,2-diol?
The CAS number of 3,3-Difluoroheptane-1,2-diol is 158358-96-4.
What is the molecular formula of 3,3-Difluoroheptane-1,2-diol?
The molecular formula of 3,3-Difluoroheptane-1,2-diol is C7H14F2O2.
What is the molecular weight of 3,3-Difluoroheptane-1,2-diol?
The molecular weight of 3,3-Difluoroheptane-1,2-diol is 168.10 g/mol.
Where can I buy 3,3-Difluoroheptane-1,2-diol?
You can request a quote for 3,3-Difluoroheptane-1,2-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Difluoroheptane-1,2-diol?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Difluoroheptane-1,2-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.