RefChem:218159
TL;DR: RefChem:218159 (CAS 34848-27-6) is a chemical compound with molecular formula C12H12Cl2F4O2 and molecular weight 334.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3-[chloro(difluoro)methyl]-4,4-difluoro-2-methyl-1-phenylbutane-1,3-diol
Also Known As: 4-Chloro-3-(chlorodifluoromethyl)-4,4-difluoro-2-methyl-1-phenyl-1,3-butanediol, 1,3-Butanediol, 4-chloro-3-(chlorodifluoromethyl)-4,4-difluoro-2-methyl-1-phenyl-, C(O)(C(C)C(O)c1ccccc1)(C(Cl)(F)F)C(Cl)(F)F, 4-chloro-3-[chloro(difluoro)methyl]-4,4-difluoro-2-methyl-1-, 4-chloro-3-[chloro(difluoro)methyl]-4,4-difluoro-2-methyl-1-phenylbutane-1,3-diol
| Molecular Formula | C12H12Cl2F4O2 |
|---|---|
| Molecular Weight | 334.02 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 334.01505 |
| Heavy Atoms | 20 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 34848-27-6 |
|---|---|
| SMILES | CC(C(C1=CC=CC=C1)O)C(C(F)(F)Cl)(C(F)(F)Cl)O |
| InChIKey | ZAOABIPUJDDYHX-UHFFFAOYSA-N |
Product Overview
RefChem:218159 (CAS 34848-27-6), with molecular formula C12H12Cl2F4O2 and molecular weight 334.02 g/mol. IUPAC: 4-chloro-3-[chloro(difluoro)methyl]-4,4-difluoro-2-methyl-1-phenylbutane-1,3-diol.
Chemical Property Profile of RefChem:218159
Property Insights of RefChem:218159
The XLogP value of 3.8 indicates that RefChem:218159 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, RefChem:218159 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:218159 has 2 hydrogen bond donor(s) and 6 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 RefChem:218159?
The CAS number of RefChem:218159 is 34848-27-6.
What is the molecular formula of RefChem:218159?
The molecular formula of RefChem:218159 is C12H12Cl2F4O2.
What is the molecular weight of RefChem:218159?
The molecular weight of RefChem:218159 is 334.02 g/mol.
Where can I buy RefChem:218159?
You can request a quote for RefChem:218159 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:218159?
Yes, KEHONG BIO provides custom synthesis services for RefChem:218159 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.