丁香油
TL;DR: 丁香油 (CAS 8000-34-8) is a chemical compound with molecular formula C10H13ClO2 and molecular weight 200.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丁香油
1-(chloromethyl)-3,4-dimethoxy-2-methylbenzene
Also Known As: CLOVE OIL, 1-(chloromethyl)-3,4-dimethoxy-2-methylbenzene, KST-1B6386, 2-Methyl-3,4-dimethoxybenzyl chloride, Benzene,1-(chloromethyl)-3,4-dimethoxy-2-methyl-
| Molecular Formula | C10H13ClO2 |
|---|---|
| Molecular Weight | 200.06 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 200.06041 |
| Heavy Atoms | 13 |
| Complexity | 152.0 |
Chemical Identifiers
| CAS Number | 8000-34-8 |
|---|---|
| SMILES | CC1=C(C=CC(=C1OC)OC)CCl |
| InChIKey | CISNBGKDIUZQLH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丁香油 (CAS 8000-34-8), with molecular formula C10H13ClO2 and molecular weight 200.06 g/mol. IUPAC: 1-(chloromethyl)-3,4-dimethoxy-2-methylbenzene.
Chemical Property Profile of 丁香油
Property Insights of 丁香油
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丁香油. With a topological polar surface area (TPSA) of 18.5 Ų, 丁香油 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丁香油 has 0 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 丁香油?
The CAS number of 丁香油 is 8000-34-8.
What is the molecular formula of 丁香油?
The molecular formula of 丁香油 is C10H13ClO2.
What is the molecular weight of 丁香油?
The molecular weight of 丁香油 is 200.06 g/mol.
Where can I buy 丁香油?
You can request a quote for 丁香油 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丁香油?
Yes, KEHONG BIO provides custom synthesis services for 丁香油 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.