6-氯香草醇
TL;DR: 6-氯香草醇 (CAS 18268-77-4) is a chemical compound with molecular formula C8H9ClO3 and molecular weight 188.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-氯香草醇
5-chloro-4-(hydroxymethyl)-2-methoxyphenol
Also Known As: 6-Chlorovanillyl alcohol, 5-chloro-4-(hydroxymethyl)-2-methoxyphenol, Benzenemethanol, 2-chloro-4-hydroxy-5-methoxy-, 5-Chloro-4-hydroxymethyl-2-methoxy-phenol, 2-Chloro-4-hydroxy-5-methoxybenzenemethanol
| Molecular Formula | C8H9ClO3 |
|---|---|
| Molecular Weight | 188.02 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 188.02402 |
| Heavy Atoms | 12 |
| Complexity | 142.0 |
Chemical Identifiers
| CAS Number | 18268-77-4 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)CO)Cl)O |
| InChIKey | JOSXQIZMKWHVIO-UHFFFAOYSA-N |
Product Overview
6-氯香草醇 (CAS 18268-77-4), with molecular formula C8H9ClO3 and molecular weight 188.02 g/mol. IUPAC: 5-chloro-4-(hydroxymethyl)-2-methoxyphenol.
Chemical Property Profile of 6-氯香草醇
Property Insights of 6-氯香草醇
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-氯香草醇. With a topological polar surface area (TPSA) of 49.7 Ų, 6-氯香草醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-氯香草醇 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 6-氯香草醇?
The CAS number of 6-氯香草醇 is 18268-77-4.
What is the molecular formula of 6-氯香草醇?
The molecular formula of 6-氯香草醇 is C8H9ClO3.
What is the molecular weight of 6-氯香草醇?
The molecular weight of 6-氯香草醇 is 188.02 g/mol.
Where can I buy 6-氯香草醇?
You can request a quote for 6-氯香草醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-氯香草醇?
Yes, KEHONG BIO provides custom synthesis services for 6-氯香草醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.