4H-1,3-Benzodioxin-2-carboxylic acid, 6-chloro-2,4,4-trimethyl-, methyl ester
TL;DR: 4H-1,3-Benzodioxin-2-carboxylic acid, 6-chloro-2,4,4-trimethyl-, methyl ester (CAS 73050-94-9) is a chemical compound with molecular formula C13H15ClO4 and molecular weight 270.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-chloro-2,4,4-trimethyl-1,3-benzodioxine-2-carboxylate
Also Known As: Methyl 6-chloro-2,4,4-trimethyl-4H-1,3-benzodioxin-2-carboxylate, 4H-1,3-Benzodioxin-2-carboxylic acid, 6-chloro-2,4,4-trimethyl-, methyl ester, 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-2,4,4-trimethyl-, methyl ester, methyl 6-chloro-2,4,4-trimethyl-1,3-benzodioxine-2-carboxylate, 6-Chloro-2,4,4-trimethyl (4H) 1,3-benzodioxin-2-carboxylate de methyle [French]
| Molecular Formula | C13H15ClO4 |
|---|---|
| Molecular Weight | 270.07 g/mol |
| LogP | 2.8733 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 270.0659 |
| Heavy Atoms | 18 |
| Complexity | 497.76465 |
Chemical Identifiers
| CAS Number | 73050-94-9 |
|---|---|
| SMILES | CC1(C2=C(C=CC(=C2)Cl)OC(O1)(C)C(=O)OC)C |
Product Overview
4H-1,3-Benzodioxin-2-carboxylic acid, 6-chloro-2,4,4-trimethyl-, methyl ester (CAS 73050-94-9), with molecular formula C13H15ClO4 and molecular weight 270.07 g/mol. IUPAC: methyl 6-chloro-2,4,4-trimethyl-1,3-benzodioxine-2-carboxylate.
Chemical Property Profile of 4H-1,3-Benzodioxin-2-carboxylic acid, 6-chloro-2,4,4-trimethyl-, methyl ester
Property Insights of 4H-1,3-Benzodioxin-2-carboxylic acid, 6-chloro-2,4,4-trimethyl-, methyl ester
The XLogP value of 2.8733 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-1,3-Benzodioxin-2-carboxylic acid, 6-chloro-2,4,4-trimethyl-, methyl ester. With a topological polar surface area (TPSA) of 44.76 Ų, 4H-1,3-Benzodioxin-2-carboxylic acid, 6-chloro-2,4,4-trimethyl-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-1,3-Benzodioxin-2-carboxylic acid, 6-chloro-2,4,4-trimethyl-, methyl ester has 0 hydrogen bond donor(s) and 4 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 4H-1,3-Benzodioxin-2-carboxylic acid, 6-chloro-2,4,4-trimethyl-, methyl ester?
The CAS number of 4H-1,3-Benzodioxin-2-carboxylic acid, 6-chloro-2,4,4-trimethyl-, methyl ester is 73050-94-9.
What is the molecular formula of 4H-1,3-Benzodioxin-2-carboxylic acid, 6-chloro-2,4,4-trimethyl-, methyl ester?
The molecular formula of 4H-1,3-Benzodioxin-2-carboxylic acid, 6-chloro-2,4,4-trimethyl-, methyl ester is C13H15ClO4.
What is the molecular weight of 4H-1,3-Benzodioxin-2-carboxylic acid, 6-chloro-2,4,4-trimethyl-, methyl ester?
The molecular weight of 4H-1,3-Benzodioxin-2-carboxylic acid, 6-chloro-2,4,4-trimethyl-, methyl ester is 270.07 g/mol.
Where can I buy 4H-1,3-Benzodioxin-2-carboxylic acid, 6-chloro-2,4,4-trimethyl-, methyl ester?
You can request a quote for 4H-1,3-Benzodioxin-2-carboxylic acid, 6-chloro-2,4,4-trimethyl-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-1,3-Benzodioxin-2-carboxylic acid, 6-chloro-2,4,4-trimethyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4H-1,3-Benzodioxin-2-carboxylic acid, 6-chloro-2,4,4-trimethyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.