Benzeneacetic acid, 3-chloro-4-(cyclopropylmethoxy)-
TL;DR: Benzeneacetic acid, 3-chloro-4-(cyclopropylmethoxy)- (CAS 57017-96-6) is a chemical compound with molecular formula C12H13ClO3 and molecular weight 240.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-chloro-4-(cyclopropylmethoxy)phenyl]acetic acid
Also Known As: 2-[3-chloro-4-(cyclopropylmethoxy)phenyl]acetic Acid, Benzeneacetic acid, 3-chloro-4-(cyclopropylmethoxy)-, 3-Chlor-4-cyclopropylmethoxyphenyl-essigsaeure, 3-Chloro-4-(cyclopropylmethoxy)benzeneacetic acid, [3-CHLORO-4-(CYCLOPROPYLMETHOXY)PHENYL]ACETIC ACID
| Molecular Formula | C12H13ClO3 |
|---|---|
| Molecular Weight | 240.06 g/mol |
| LogP | 2.7559 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 240.05533 |
| Heavy Atoms | 16 |
| Complexity | 399.2504 |
Chemical Identifiers
| CAS Number | 57017-96-6 |
|---|---|
| SMILES | C1CC1COC2=C(C=C(C=C2)CC(=O)O)Cl |
Product Overview
Benzeneacetic acid, 3-chloro-4-(cyclopropylmethoxy)- (CAS 57017-96-6), with molecular formula C12H13ClO3 and molecular weight 240.06 g/mol. IUPAC: 2-[3-chloro-4-(cyclopropylmethoxy)phenyl]acetic acid.
Chemical Property Profile of Benzeneacetic acid, 3-chloro-4-(cyclopropylmethoxy)-
Property Insights of Benzeneacetic acid, 3-chloro-4-(cyclopropylmethoxy)-
The XLogP value of 2.7559 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneacetic acid, 3-chloro-4-(cyclopropylmethoxy)-. With a topological polar surface area (TPSA) of 46.53 Ų, Benzeneacetic acid, 3-chloro-4-(cyclopropylmethoxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneacetic acid, 3-chloro-4-(cyclopropylmethoxy)- 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 Benzeneacetic acid, 3-chloro-4-(cyclopropylmethoxy)-?
The CAS number of Benzeneacetic acid, 3-chloro-4-(cyclopropylmethoxy)- is 57017-96-6.
What is the molecular formula of Benzeneacetic acid, 3-chloro-4-(cyclopropylmethoxy)-?
The molecular formula of Benzeneacetic acid, 3-chloro-4-(cyclopropylmethoxy)- is C12H13ClO3.
What is the molecular weight of Benzeneacetic acid, 3-chloro-4-(cyclopropylmethoxy)-?
The molecular weight of Benzeneacetic acid, 3-chloro-4-(cyclopropylmethoxy)- is 240.06 g/mol.
Where can I buy Benzeneacetic acid, 3-chloro-4-(cyclopropylmethoxy)-?
You can request a quote for Benzeneacetic acid, 3-chloro-4-(cyclopropylmethoxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetic acid, 3-chloro-4-(cyclopropylmethoxy)-?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, 3-chloro-4-(cyclopropylmethoxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.