RefChem:1080412
TL;DR: RefChem:1080412 (CAS 100482-84-6) is a chemical compound with molecular formula C11H10ClF5N2O and molecular weight 316.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-1-chloro-1,1-difluoro-4-(phenylhydrazinylidene)-2-(trifluoromethyl)butan-2-ol
Also Known As: 4-Chloro-4,4-difluoro-3-hydroxy-3-(trifluoromethyl)butyraldehyde phenylhydrazone, Butyraldehyde, 4-chloro-4,4-difluoro-3-hydroxy-3-(trifluoromethyl)-, phenylhydrazone, (4E)-1-chloro-1,1-difluoro-4-(phenylhydrazinylidene)-2-(trifluoromethyl)butan-2-ol, 1-chloro-1,1-difluoro-4-(2-phenylhydrazin-1-ylidene)-2-(trifluoromethyl)butan-2-ol, 4-Chloro-4,4-difluoro-3-hydroxy-3-(trifluoromethyl)butyraldehyde phenyl hydrazone
| Molecular Formula | C11H10ClF5N2O |
|---|---|
| Molecular Weight | 316.04 g/mol |
| LogP | 3.5994 |
| Topological Polar Surface Area | 44.62 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 316.0402 |
| Heavy Atoms | 20 |
| Complexity | 444.12155 |
Chemical Identifiers
| CAS Number | 100482-84-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)N/N=C/CC(C(F)(F)F)(C(F)(F)Cl)O |
Product Overview
RefChem:1080412 (CAS 100482-84-6), with molecular formula C11H10ClF5N2O and molecular weight 316.04 g/mol. IUPAC: (4E)-1-chloro-1,1-difluoro-4-(phenylhydrazinylidene)-2-(trifluoromethyl)butan-2-ol.
Chemical Property Profile of RefChem:1080412
Property Insights of RefChem:1080412
The XLogP value of 3.5994 indicates that RefChem:1080412 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.62 Ų, RefChem:1080412 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1080412 has 2 hydrogen bond donor(s) and 3 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:1080412?
The CAS number of RefChem:1080412 is 100482-84-6.
What is the molecular formula of RefChem:1080412?
The molecular formula of RefChem:1080412 is C11H10ClF5N2O.
What is the molecular weight of RefChem:1080412?
The molecular weight of RefChem:1080412 is 316.04 g/mol.
Where can I buy RefChem:1080412?
You can request a quote for RefChem:1080412 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1080412?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1080412 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.