3-氯-4-甲基苄醇
TL;DR: 3-氯-4-甲基苄醇 (CAS 41499-78-9) is a chemical compound with molecular formula CC1=C(C=C(C=C1)CO)Cl and molecular weight 156.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-氯-4-甲基苄醇
(3-chloro-4-methylphenyl)methanol
Also Known As: 3-Chloro-4-methylbenzyl alcohol, (3-Chloro-4-methylphenyl)methanol, 3-Chloro-4-methylbenzenemethanol, 3-CHLORO-4-METHYLBENZYLALCOHOL, Benzenemethanol, 3-chloro-4-methyl-
| Molecular Formula | CC1=C(C=C(C=C1)CO)Cl |
|---|---|
| Molecular Weight | 156.03 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 156.0342 |
| Heavy Atoms | 10 |
| Complexity | 105.0 |
Chemical Identifiers
| CAS Number | 41499-78-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)CO)Cl |
| InChIKey | NLRJZTGNCBMNKS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-氯-4-甲基苄醇 (CAS 41499-78-9), with molecular formula CC1=C(C=C(C=C1)CO)Cl and molecular weight 156.03 g/mol. IUPAC: (3-chloro-4-methylphenyl)methanol.
Chemical Property Profile of 3-氯-4-甲基苄醇
Property Insights of 3-氯-4-甲基苄醇
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-氯-4-甲基苄醇. With a topological polar surface area (TPSA) of 20.2 Ų, 3-氯-4-甲基苄醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-氯-4-甲基苄醇 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 3-氯-4-甲基苄醇?
The CAS number of 3-氯-4-甲基苄醇 is 41499-78-9.
What is the molecular formula of 3-氯-4-甲基苄醇?
The molecular formula of 3-氯-4-甲基苄醇 is CC1=C(C=C(C=C1)CO)Cl.
What is the molecular weight of 3-氯-4-甲基苄醇?
The molecular weight of 3-氯-4-甲基苄醇 is 156.03 g/mol.
Where can I buy 3-氯-4-甲基苄醇?
You can request a quote for 3-氯-4-甲基苄醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-氯-4-甲基苄醇?
Yes, KEHONG BIO provides custom synthesis services for 3-氯-4-甲基苄醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.