香草醇
TL;DR: 香草醇 (CAS 498-00-0) is a chemical compound with molecular formula C8H10O3 and molecular weight 154.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
香草醇
4-(hydroxymethyl)-2-methoxyphenol
Also Known As: Vanillyl alcohol, 4-Hydroxy-3-methoxybenzyl alcohol, Vanillin alcohol, 4-(Hydroxymethyl)-2-methoxyphenol, Vanillic alcohol
| Molecular Formula | C8H10O3 |
|---|---|
| Molecular Weight | 154.06 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 154.06299 |
| Heavy Atoms | 11 |
| Complexity | 116.0 |
| Melting Point | 114 - 115 °C |
| Boiling Point | 312.00 to 313.00 °C. @ 760.00 mm Hg |
| Solubility | 2 mg/mL at 20 °C |
Chemical Identifiers
| CAS Number | 498-00-0 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)CO)O |
| InChIKey | ZENOXNGFMSCLLL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
香草醇 (CAS 498-00-0), with molecular formula C8H10O3 and molecular weight 154.06 g/mol. IUPAC: 4-(hydroxymethyl)-2-methoxyphenol.
Chemical Property Profile of 香草醇
Property Insights of 香草醇
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 香草醇. With a topological polar surface area (TPSA) of 49.7 Ų, 香草醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 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 香草醇?
The CAS number of 香草醇 is 498-00-0.
What is the molecular formula of 香草醇?
The molecular formula of 香草醇 is C8H10O3.
What is the molecular weight of 香草醇?
The molecular weight of 香草醇 is 154.06 g/mol.
Where can I buy 香草醇?
You can request a quote for 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 香草醇?
Yes, KEHONG BIO provides custom synthesis services for 香草醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.