4-苄氧基苄基氯
TL;DR: 4-苄氧基苄基氯 (CAS 836-42-0) is a chemical compound with molecular formula C14H13ClO and molecular weight 232.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-苄氧基苄基氯
1-(chloromethyl)-4-phenylmethoxybenzene
Also Known As: 4-(Benzyloxy)benzyl chloride, 4-Benzyloxybenzyl chloride, BaccatinIII, 1-(Benzyloxy)-4-(chloromethyl)benzene, 3-Benzyloxybenzyl alcohol
| Molecular Formula | C14H13ClO |
|---|---|
| Molecular Weight | 232.07 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 232.06549 |
| Heavy Atoms | 16 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 836-42-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=CC=C(C=C2)CCl |
| InChIKey | UYQPSKUPEXAQRJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-苄氧基苄基氯 (CAS 836-42-0), with molecular formula C14H13ClO and molecular weight 232.07 g/mol. IUPAC: 1-(chloromethyl)-4-phenylmethoxybenzene.
Chemical Property Profile of 4-苄氧基苄基氯
Property Insights of 4-苄氧基苄基氯
The XLogP value of 3.6 indicates that 4-苄氧基苄基氯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 4-苄氧基苄基氯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-苄氧基苄基氯 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 4-苄氧基苄基氯?
The CAS number of 4-苄氧基苄基氯 is 836-42-0.
What is the molecular formula of 4-苄氧基苄基氯?
The molecular formula of 4-苄氧基苄基氯 is C14H13ClO.
What is the molecular weight of 4-苄氧基苄基氯?
The molecular weight of 4-苄氧基苄基氯 is 232.07 g/mol.
Where can I buy 4-苄氧基苄基氯?
You can request a quote for 4-苄氧基苄基氯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-苄氧基苄基氯?
Yes, KEHONG BIO provides custom synthesis services for 4-苄氧基苄基氯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.