4-(烯丙氧基)-3,5-二氯苯甲酸
TL;DR: 4-(烯丙氧基)-3,5-二氯苯甲酸 (CAS 41727-45-1) is a chemical compound with molecular formula C10H8Cl2O3 and molecular weight 245.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(烯丙氧基)-3,5-二氯苯甲酸
3,5-dichloro-4-prop-2-enoxybenzoic acid
Also Known As: 4-(ALLYLOXY)-3,5-DICHLOROBENZOIC ACID, 4-Allyloxy-3,5-dichlorobenzoic acid, 4-allyloxy-3,5-dichloro-benzoic acid, 3,5-dichloro-4-prop-2-enoxybenzoic acid, 4- -3,5-dichlorobenzoicacid
| Molecular Formula | C10H8Cl2O3 |
|---|---|
| Molecular Weight | 245.99 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 245.98505 |
| Heavy Atoms | 15 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 41727-45-1 |
|---|---|
| SMILES | C=CCOC1=C(C=C(C=C1Cl)C(=O)O)Cl |
| InChIKey | RXLVKVUKUULKAK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(烯丙氧基)-3,5-二氯苯甲酸 (CAS 41727-45-1), with molecular formula C10H8Cl2O3 and molecular weight 245.99 g/mol. IUPAC: 3,5-dichloro-4-prop-2-enoxybenzoic acid.
Chemical Property Profile of 4-(烯丙氧基)-3,5-二氯苯甲酸
Property Insights of 4-(烯丙氧基)-3,5-二氯苯甲酸
The XLogP value of 3.3 indicates that 4-(烯丙氧基)-3,5-二氯苯甲酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 4-(烯丙氧基)-3,5-二氯苯甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(烯丙氧基)-3,5-二氯苯甲酸 has 1 hydrogen bond donor(s) and 3 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-(烯丙氧基)-3,5-二氯苯甲酸?
The CAS number of 4-(烯丙氧基)-3,5-二氯苯甲酸 is 41727-45-1.
What is the molecular formula of 4-(烯丙氧基)-3,5-二氯苯甲酸?
The molecular formula of 4-(烯丙氧基)-3,5-二氯苯甲酸 is C10H8Cl2O3.
What is the molecular weight of 4-(烯丙氧基)-3,5-二氯苯甲酸?
The molecular weight of 4-(烯丙氧基)-3,5-二氯苯甲酸 is 245.99 g/mol.
Where can I buy 4-(烯丙氧基)-3,5-二氯苯甲酸?
You can request a quote for 4-(烯丙氧基)-3,5-二氯苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(烯丙氧基)-3,5-二氯苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 4-(烯丙氧基)-3,5-二氯苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.