o-Cresol, 4-chloro-alpha-(3,4-xylyl)-
TL;DR: o-Cresol, 4-chloro-alpha-(3,4-xylyl)- (CAS 6955-53-9) is a chemical compound with molecular formula C15H15ClO and molecular weight 246.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-[(3,4-dimethylphenyl)methyl]phenol
Also Known As: o-Cresol,4-xylyl), o-Cresol,4-xylyl)-, o-CRESOL, 4-CHLORO-alpha-(3,4-XYLYL)-, 4-chloro-2-[(3,4-dimethylphenyl)methyl]phenol, 4-Chloro-alpha-(3,4-xylyl)-o-cresol
| Molecular Formula | C15H15ClO |
|---|---|
| Molecular Weight | 246.08 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.08115 |
| Heavy Atoms | 17 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 6955-53-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)CC2=C(C=CC(=C2)Cl)O)C |
| InChIKey | RDKJCWGKVHVJNN-UHFFFAOYSA-N |
Product Overview
o-Cresol, 4-chloro-alpha-(3,4-xylyl)- (CAS 6955-53-9), with molecular formula C15H15ClO and molecular weight 246.08 g/mol. IUPAC: 4-chloro-2-[(3,4-dimethylphenyl)methyl]phenol.
Chemical Property Profile of o-Cresol, 4-chloro-alpha-(3,4-xylyl)-
Property Insights of o-Cresol, 4-chloro-alpha-(3,4-xylyl)-
The XLogP value of 4.8 indicates that o-Cresol, 4-chloro-alpha-(3,4-xylyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, o-Cresol, 4-chloro-alpha-(3,4-xylyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-Cresol, 4-chloro-alpha-(3,4-xylyl)- has 1 hydrogen bond donor(s) and 1 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 o-Cresol, 4-chloro-alpha-(3,4-xylyl)-?
The CAS number of o-Cresol, 4-chloro-alpha-(3,4-xylyl)- is 6955-53-9.
What is the molecular formula of o-Cresol, 4-chloro-alpha-(3,4-xylyl)-?
The molecular formula of o-Cresol, 4-chloro-alpha-(3,4-xylyl)- is C15H15ClO.
What is the molecular weight of o-Cresol, 4-chloro-alpha-(3,4-xylyl)-?
The molecular weight of o-Cresol, 4-chloro-alpha-(3,4-xylyl)- is 246.08 g/mol.
Where can I buy o-Cresol, 4-chloro-alpha-(3,4-xylyl)-?
You can request a quote for o-Cresol, 4-chloro-alpha-(3,4-xylyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-Cresol, 4-chloro-alpha-(3,4-xylyl)-?
Yes, KEHONG BIO provides custom synthesis services for o-Cresol, 4-chloro-alpha-(3,4-xylyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.