1,4-Benzenediol, 3-chloro-2,5-dimethyl-
TL;DR: 1,4-Benzenediol, 3-chloro-2,5-dimethyl- (CAS 502186-53-0) is a chemical compound with molecular formula C8H9ClO2 and molecular weight 172.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-2,5-dimethylbenzene-1,4-diol
Also Known As: 1,4-Benzenediol, 3-chloro-2,5-dimethyl-, 3-chloro-2,5-dimethylbenzene-1,4-diol
| Molecular Formula | C8H9ClO2 |
|---|---|
| Molecular Weight | 172.03 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 172.02911 |
| Heavy Atoms | 11 |
| Complexity | 140.0 |
Chemical Identifiers
| CAS Number | 502186-53-0 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1O)Cl)C)O |
| InChIKey | ZUCHCNPGPVABCY-UHFFFAOYSA-N |
Product Overview
1,4-Benzenediol, 3-chloro-2,5-dimethyl- (CAS 502186-53-0), with molecular formula C8H9ClO2 and molecular weight 172.03 g/mol. IUPAC: 3-chloro-2,5-dimethylbenzene-1,4-diol.
Chemical Property Profile of 1,4-Benzenediol, 3-chloro-2,5-dimethyl-
Property Insights of 1,4-Benzenediol, 3-chloro-2,5-dimethyl-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Benzenediol, 3-chloro-2,5-dimethyl-. With a topological polar surface area (TPSA) of 40.5 Ų, 1,4-Benzenediol, 3-chloro-2,5-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Benzenediol, 3-chloro-2,5-dimethyl- 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 1,4-Benzenediol, 3-chloro-2,5-dimethyl-?
The CAS number of 1,4-Benzenediol, 3-chloro-2,5-dimethyl- is 502186-53-0.
What is the molecular formula of 1,4-Benzenediol, 3-chloro-2,5-dimethyl-?
The molecular formula of 1,4-Benzenediol, 3-chloro-2,5-dimethyl- is C8H9ClO2.
What is the molecular weight of 1,4-Benzenediol, 3-chloro-2,5-dimethyl-?
The molecular weight of 1,4-Benzenediol, 3-chloro-2,5-dimethyl- is 172.03 g/mol.
Where can I buy 1,4-Benzenediol, 3-chloro-2,5-dimethyl-?
You can request a quote for 1,4-Benzenediol, 3-chloro-2,5-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Benzenediol, 3-chloro-2,5-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Benzenediol, 3-chloro-2,5-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.