1,3-Propanediol, 1,1-bis(chlorodifluoromethyl)-3-phenyl-
TL;DR: 1,3-Propanediol, 1,1-bis(chlorodifluoromethyl)-3-phenyl- (CAS 39550-65-7) is a chemical compound with molecular formula C11H10Cl2F4O2 and molecular weight 320.00 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-1-phenylbutane-1,3-diol
Also Known As: 1,1-Bis(chlorodifluoromethyl)-3-phenyl-1,3-propanediol, NCI60_020929, 1,3-Propanediol, 1,1-bis(chlorodifluoromethyl)-3-phenyl-, 1-Chloro-1,1-difluoro-2-(chlorodifluoromethyl)-4-phenyl-2,4-butanediol, 4-Chloro-3-(chloro(difluoro)methyl)-4,4-difluoro-1-phenyl-1,3-butanediol
| Molecular Formula | C11H10Cl2F4O2 |
|---|---|
| Molecular Weight | 320.00 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.9994 |
| Heavy Atoms | 19 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 39550-65-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(CC(C(F)(F)Cl)(C(F)(F)Cl)O)O |
| InChIKey | ZGRPQOKXVFKJQN-UHFFFAOYSA-N |
Product Overview
1,3-Propanediol, 1,1-bis(chlorodifluoromethyl)-3-phenyl- (CAS 39550-65-7), with molecular formula C11H10Cl2F4O2 and molecular weight 320.00 g/mol. IUPAC: 4-chloro-3-[chloro(difluoro)methyl]-4,4-difluoro-1-phenylbutane-1,3-diol.
Chemical Property Profile of 1,3-Propanediol, 1,1-bis(chlorodifluoromethyl)-3-phenyl-
Property Insights of 1,3-Propanediol, 1,1-bis(chlorodifluoromethyl)-3-phenyl-
The XLogP value of 3.3 indicates that 1,3-Propanediol, 1,1-bis(chlorodifluoromethyl)-3-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 1,3-Propanediol, 1,1-bis(chlorodifluoromethyl)-3-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Propanediol, 1,1-bis(chlorodifluoromethyl)-3-phenyl- 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 1,3-Propanediol, 1,1-bis(chlorodifluoromethyl)-3-phenyl-?
The CAS number of 1,3-Propanediol, 1,1-bis(chlorodifluoromethyl)-3-phenyl- is 39550-65-7.
What is the molecular formula of 1,3-Propanediol, 1,1-bis(chlorodifluoromethyl)-3-phenyl-?
The molecular formula of 1,3-Propanediol, 1,1-bis(chlorodifluoromethyl)-3-phenyl- is C11H10Cl2F4O2.
What is the molecular weight of 1,3-Propanediol, 1,1-bis(chlorodifluoromethyl)-3-phenyl-?
The molecular weight of 1,3-Propanediol, 1,1-bis(chlorodifluoromethyl)-3-phenyl- is 320.00 g/mol.
Where can I buy 1,3-Propanediol, 1,1-bis(chlorodifluoromethyl)-3-phenyl-?
You can request a quote for 1,3-Propanediol, 1,1-bis(chlorodifluoromethyl)-3-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Propanediol, 1,1-bis(chlorodifluoromethyl)-3-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 1,1-bis(chlorodifluoromethyl)-3-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.