3-甲氧基氯化苄
TL;DR: 3-甲氧基氯化苄 (CAS 824-98-6) is a chemical compound with molecular formula C8H9ClO and molecular weight 156.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-甲氧基氯化苄
1-(chloromethyl)-3-methoxybenzene
Also Known As: 3-Methoxybenzyl chloride, 1-(Chloromethyl)-3-methoxybenzene, m-(Chloromethyl)anisole, m-Methoxybenzyl chloride, 3-(Chloromethyl)anisole
| Molecular Formula | C8H9ClO |
|---|---|
| Molecular Weight | 156.03 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 156.0342 |
| Heavy Atoms | 10 |
| Complexity | 95.0 |
Chemical Identifiers
| CAS Number | 824-98-6 |
|---|---|
| SMILES | COC1=CC=CC(=C1)CCl |
| InChIKey | VGISFWWEOGVMED-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-甲氧基氯化苄 (CAS 824-98-6), with molecular formula C8H9ClO and molecular weight 156.03 g/mol. IUPAC: 1-(chloromethyl)-3-methoxybenzene.
Chemical Property Profile of 3-甲氧基氯化苄
Property Insights of 3-甲氧基氯化苄
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-甲氧基氯化苄. With a topological polar surface area (TPSA) of 9.2 Ų, 3-甲氧基氯化苄 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-甲氧基氯化苄 has 0 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-甲氧基氯化苄?
The CAS number of 3-甲氧基氯化苄 is 824-98-6.
What is the molecular formula of 3-甲氧基氯化苄?
The molecular formula of 3-甲氧基氯化苄 is C8H9ClO.
What is the molecular weight of 3-甲氧基氯化苄?
The molecular weight of 3-甲氧基氯化苄 is 156.03 g/mol.
Where can I buy 3-甲氧基氯化苄?
You can request a quote for 3-甲氧基氯化苄 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-甲氧基氯化苄?
Yes, KEHONG BIO provides custom synthesis services for 3-甲氧基氯化苄 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.