苯甲酸3,5-二氯戊酯
TL;DR: 苯甲酸3,5-二氯戊酯 (CAS 27070-22-0) is a chemical compound with molecular formula C12H14Cl2O2 and molecular weight 260.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯甲酸3,5-二氯戊酯
3,5-dichloropentyl benzoate
Also Known As: 3,5-dichloropentyl benzoate, Benzoic acid, 3,5-dichloropentyl, Benzoic acid, 3,5-dichloropentyl ester
| Molecular Formula | C12H14Cl2O2 |
|---|---|
| Molecular Weight | 260.04 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 260.03708 |
| Heavy Atoms | 16 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 27070-22-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCCC(CCCl)Cl |
| InChIKey | IBJYWOZLBVBSHK-UHFFFAOYSA-N |
Product Overview
苯甲酸3,5-二氯戊酯 (CAS 27070-22-0), with molecular formula C12H14Cl2O2 and molecular weight 260.04 g/mol. IUPAC: 3,5-dichloropentyl benzoate.
Chemical Property Profile of 苯甲酸3,5-二氯戊酯
Property Insights of 苯甲酸3,5-二氯戊酯
The XLogP value of 4.1 indicates that 苯甲酸3,5-二氯戊酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 苯甲酸3,5-二氯戊酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯甲酸3,5-二氯戊酯 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 苯甲酸3,5-二氯戊酯?
The CAS number of 苯甲酸3,5-二氯戊酯 is 27070-22-0.
What is the molecular formula of 苯甲酸3,5-二氯戊酯?
The molecular formula of 苯甲酸3,5-二氯戊酯 is C12H14Cl2O2.
What is the molecular weight of 苯甲酸3,5-二氯戊酯?
The molecular weight of 苯甲酸3,5-二氯戊酯 is 260.04 g/mol.
Where can I buy 苯甲酸3,5-二氯戊酯?
You can request a quote for 苯甲酸3,5-二氯戊酯 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3,5-二氯戊酯?
Yes, KEHONG BIO provides custom synthesis services for 苯甲酸3,5-二氯戊酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.