苯甲酸糠酯
TL;DR: 苯甲酸糠酯 (CAS 34171-46-5) 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.
苯甲酸糠酯
3-chloroprop-1-ene;formaldehyde;phenol
Also Known As: Allyl chloride, formaldehyde, phenol polymer, 3-chloroprop-1-ene; formaldehyde; phenol, (C6-H6-O.C3-H5-Cl.C-H2-O)x-, Formaldehyde, polymer with 3-chloro-1-propene and phenol, Mixture of the allyl ethers of mono-, di- and trimethyl phenols
| Molecular Formula | C10H13ClO2 |
|---|---|
| Molecular Weight | 200.06 g/mol |
| LogP | 2.6185 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 200.06041 |
| Heavy Atoms | 13 |
| Complexity | 65.0 |
Chemical Identifiers
| CAS Number | 34171-46-5 |
|---|---|
| SMILES | C=CCCl.C=O.C1=CC=C(C=C1)O |
| InChIKey | CKRMLTCXMXFLJW-UHFFFAOYSA-N |
Product Overview
苯甲酸糠酯 (CAS 34171-46-5), with molecular formula C10H13ClO2 and molecular weight 200.06 g/mol. IUPAC: 3-chloroprop-1-ene;formaldehyde;phenol.
Chemical Property Profile of 苯甲酸糠酯
Property Insights of 苯甲酸糠酯
The XLogP value of 2.6185 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯甲酸糠酯. With a topological polar surface area (TPSA) of 37.3 Ų, 苯甲酸糠酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯甲酸糠酯 has 1 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 苯甲酸糠酯?
The CAS number of 苯甲酸糠酯 is 34171-46-5.
What is the molecular formula of 苯甲酸糠酯?
The molecular formula of 苯甲酸糠酯 is C10H13ClO2.
What is the molecular weight of 苯甲酸糠酯?
The molecular weight of 苯甲酸糠酯 is 200.06 g/mol.
Where can I buy 苯甲酸糠酯?
You can request a quote for 苯甲酸糠酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯甲酸糠酯?
Yes, KEHONG BIO provides custom synthesis services for 苯甲酸糠酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.