1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4-methyl-4-phenyl-, (Z)-
TL;DR: 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4-methyl-4-phenyl-, (Z)- (CAS 74271-48-0) is a chemical compound with molecular formula C16H13ClO4 and molecular weight 304.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,4R)-6-chloro-4-methyl-4-phenyl-1,3-benzodioxine-2-carboxylic acid
Also Known As: RU 25765, cis-6-Chloro-4-methyl-4-phenyl-1,3-benzodioxan-2-carboxylic acid, 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4-methyl-4-phenyl-, (Z)-, 4H-1,3-Benzodioxin-2-carboxylic acid, 6-chloro-4-methyl-4-phenyl-, cis-, Acide (chloro-6 methyl-4 phenyl-4 (4H) benzodioxine-(1,3)) carboxylique-2 cis [French]
| Molecular Formula | C16H13ClO4 |
|---|---|
| Molecular Weight | 304.05 g/mol |
| LogP | 3.4232 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 304.05023 |
| Heavy Atoms | 21 |
| Complexity | 685.9313 |
Chemical Identifiers
| CAS Number | 74271-48-0 |
|---|---|
| SMILES | C[C@]1(C2=C(C=CC(=C2)Cl)O[C@@H](O1)C(=O)O)C3=CC=CC=C3 |
Product Overview
1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4-methyl-4-phenyl-, (Z)- (CAS 74271-48-0), with molecular formula C16H13ClO4 and molecular weight 304.05 g/mol. IUPAC: (2S,4R)-6-chloro-4-methyl-4-phenyl-1,3-benzodioxine-2-carboxylic acid.
Chemical Property Profile of 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4-methyl-4-phenyl-, (Z)-
Property Insights of 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4-methyl-4-phenyl-, (Z)-
The XLogP value of 3.4232 indicates that 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4-methyl-4-phenyl-, (Z)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.76 Ų, 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4-methyl-4-phenyl-, (Z)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4-methyl-4-phenyl-, (Z)- 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 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4-methyl-4-phenyl-, (Z)-?
The CAS number of 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4-methyl-4-phenyl-, (Z)- is 74271-48-0.
What is the molecular formula of 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4-methyl-4-phenyl-, (Z)-?
The molecular formula of 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4-methyl-4-phenyl-, (Z)- is C16H13ClO4.
What is the molecular weight of 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4-methyl-4-phenyl-, (Z)-?
The molecular weight of 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4-methyl-4-phenyl-, (Z)- is 304.05 g/mol.
Where can I buy 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4-methyl-4-phenyl-, (Z)-?
You can request a quote for 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4-methyl-4-phenyl-, (Z)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4-methyl-4-phenyl-, (Z)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4-methyl-4-phenyl-, (Z)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.