4H-1,4-Benzoxazine-4-carboxylic acid, 2,3-dihydro-, 3,4,5-trimethoxyphenyl ester
TL;DR: 4H-1,4-Benzoxazine-4-carboxylic acid, 2,3-dihydro-, 3,4,5-trimethoxyphenyl ester (CAS 68061-07-4) is a chemical compound with molecular formula C18H19NO6 and molecular weight 345.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4,5-trimethoxyphenyl) 2,3-dihydro-1,4-benzoxazine-4-carboxylate
Also Known As: 3,4,5-Trimethoxyphenyl 2,3-dihydro-4H-1,4-benzoxazine-4-carboxylate, 4H-1,4-Benzoxazine-4-carboxylic acid, 2,3-dihydro-, 3,4,5-trimethoxyphenyl ester, (3,4,5-trimethoxyphenyl) 2,3-dihydro-1,4-benzoxazine-4-carboxylate, RefChem:297147
| Molecular Formula | C18H19NO6 |
|---|---|
| Molecular Weight | 345.12 g/mol |
| LogP | 3.1102 |
| Topological Polar Surface Area | 66.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 345.12125 |
| Heavy Atoms | 25 |
| Complexity | 750.90674 |
Chemical Identifiers
| CAS Number | 68061-07-4 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)OC(=O)N2CCOC3=CC=CC=C32 |
Product Overview
4H-1,4-Benzoxazine-4-carboxylic acid, 2,3-dihydro-, 3,4,5-trimethoxyphenyl ester (CAS 68061-07-4), with molecular formula C18H19NO6 and molecular weight 345.12 g/mol. IUPAC: (3,4,5-trimethoxyphenyl) 2,3-dihydro-1,4-benzoxazine-4-carboxylate.
Chemical Property Profile of 4H-1,4-Benzoxazine-4-carboxylic acid, 2,3-dihydro-, 3,4,5-trimethoxyphenyl ester
Property Insights of 4H-1,4-Benzoxazine-4-carboxylic acid, 2,3-dihydro-, 3,4,5-trimethoxyphenyl ester
The XLogP value of 3.1102 indicates that 4H-1,4-Benzoxazine-4-carboxylic acid, 2,3-dihydro-, 3,4,5-trimethoxyphenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-1,4-Benzoxazine-4-carboxylic acid, 2,3-dihydro-, 3,4,5-trimethoxyphenyl ester. Following Lipinski's Rule of Five, 4H-1,4-Benzoxazine-4-carboxylic acid, 2,3-dihydro-, 3,4,5-trimethoxyphenyl ester has 0 hydrogen bond donor(s) and 6 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-1,4-Benzoxazine-4-carboxylic acid, 2,3-dihydro-, 3,4,5-trimethoxyphenyl ester?
The CAS number of 4H-1,4-Benzoxazine-4-carboxylic acid, 2,3-dihydro-, 3,4,5-trimethoxyphenyl ester is 68061-07-4.
What is the molecular formula of 4H-1,4-Benzoxazine-4-carboxylic acid, 2,3-dihydro-, 3,4,5-trimethoxyphenyl ester?
The molecular formula of 4H-1,4-Benzoxazine-4-carboxylic acid, 2,3-dihydro-, 3,4,5-trimethoxyphenyl ester is C18H19NO6.
What is the molecular weight of 4H-1,4-Benzoxazine-4-carboxylic acid, 2,3-dihydro-, 3,4,5-trimethoxyphenyl ester?
The molecular weight of 4H-1,4-Benzoxazine-4-carboxylic acid, 2,3-dihydro-, 3,4,5-trimethoxyphenyl ester is 345.12 g/mol.
Where can I buy 4H-1,4-Benzoxazine-4-carboxylic acid, 2,3-dihydro-, 3,4,5-trimethoxyphenyl ester?
You can request a quote for 4H-1,4-Benzoxazine-4-carboxylic acid, 2,3-dihydro-, 3,4,5-trimethoxyphenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-1,4-Benzoxazine-4-carboxylic acid, 2,3-dihydro-, 3,4,5-trimethoxyphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4H-1,4-Benzoxazine-4-carboxylic acid, 2,3-dihydro-, 3,4,5-trimethoxyphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.