Pyrrolo(3,2-f)(1,3)benzoxazine-9-carboxylic acid, 1,2,3,7-tetrahydro-2-(2-(dimethylamino)ethyl)-8-methyl-, ethyl ester
TL;DR: Pyrrolo(3,2-f)(1,3)benzoxazine-9-carboxylic acid, 1,2,3,7-tetrahydro-2-(2-(dimethylamino)ethyl)-8-methyl-, ethyl ester (CAS 54436-03-2) is a chemical compound with molecular formula C18H25N3O3 and molecular weight 331.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-(dimethylamino)ethyl]-8-methyl-3,7-dihydro-1H-pyrrolo[3,2-f][1,3]benzoxazine-9-carboxylate
Also Known As: Pyrrolo(3,2-f)(1,3)benzoxazine-9-carboxylic acid, 1,2,3,7-tetrahydro-2-(2-(dimethylamino)ethyl)-8-methyl-, ethyl ester, ethyl 2-(2-dimethylaminoethyl)-8-methyl-3,7-dihydro-1H-pyrrolo[3,2-f][1,3]benzoxazine-9-carboxylate, Ethyl 2-[2-(dimethylamino)ethyl]-8-methyl-1,2,3,7-tetrahydro[1,3]oxazino[5,6-e]indole-9-carboxylate, RefChem:378280
| Molecular Formula | C18H25N3O3 |
|---|---|
| Molecular Weight | 331.19 g/mol |
| LogP | 2.36652 |
| Topological Polar Surface Area | 57.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 331.1896 |
| Heavy Atoms | 24 |
| Complexity | 751.53723 |
Chemical Identifiers
| CAS Number | 54436-03-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC2=C1C3=C(C=C2)OCN(C3)CCN(C)C)C |
Product Overview
Pyrrolo(3,2-f)(1,3)benzoxazine-9-carboxylic acid, 1,2,3,7-tetrahydro-2-(2-(dimethylamino)ethyl)-8-methyl-, ethyl ester (CAS 54436-03-2), with molecular formula C18H25N3O3 and molecular weight 331.19 g/mol. IUPAC: ethyl 2-[2-(dimethylamino)ethyl]-8-methyl-3,7-dihydro-1H-pyrrolo[3,2-f][1,3]benzoxazine-9-carboxylate.
Chemical Property Profile of Pyrrolo(3,2-f)(1,3)benzoxazine-9-carboxylic acid, 1,2,3,7-tetrahydro-2-(2-(dimethylamino)ethyl)-8-methyl-, ethyl ester
Property Insights of Pyrrolo(3,2-f)(1,3)benzoxazine-9-carboxylic acid, 1,2,3,7-tetrahydro-2-(2-(dimethylamino)ethyl)-8-methyl-, ethyl ester
The XLogP value of 2.36652 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrrolo(3,2-f)(1,3)benzoxazine-9-carboxylic acid, 1,2,3,7-tetrahydro-2-(2-(dimethylamino)ethyl)-8-methyl-, ethyl ester. With a topological polar surface area (TPSA) of 57.8 Ų, Pyrrolo(3,2-f)(1,3)benzoxazine-9-carboxylic acid, 1,2,3,7-tetrahydro-2-(2-(dimethylamino)ethyl)-8-methyl-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrrolo(3,2-f)(1,3)benzoxazine-9-carboxylic acid, 1,2,3,7-tetrahydro-2-(2-(dimethylamino)ethyl)-8-methyl-, ethyl ester has 1 hydrogen bond donor(s) and 5 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 Pyrrolo(3,2-f)(1,3)benzoxazine-9-carboxylic acid, 1,2,3,7-tetrahydro-2-(2-(dimethylamino)ethyl)-8-methyl-, ethyl ester?
The CAS number of Pyrrolo(3,2-f)(1,3)benzoxazine-9-carboxylic acid, 1,2,3,7-tetrahydro-2-(2-(dimethylamino)ethyl)-8-methyl-, ethyl ester is 54436-03-2.
What is the molecular formula of Pyrrolo(3,2-f)(1,3)benzoxazine-9-carboxylic acid, 1,2,3,7-tetrahydro-2-(2-(dimethylamino)ethyl)-8-methyl-, ethyl ester?
The molecular formula of Pyrrolo(3,2-f)(1,3)benzoxazine-9-carboxylic acid, 1,2,3,7-tetrahydro-2-(2-(dimethylamino)ethyl)-8-methyl-, ethyl ester is C18H25N3O3.
What is the molecular weight of Pyrrolo(3,2-f)(1,3)benzoxazine-9-carboxylic acid, 1,2,3,7-tetrahydro-2-(2-(dimethylamino)ethyl)-8-methyl-, ethyl ester?
The molecular weight of Pyrrolo(3,2-f)(1,3)benzoxazine-9-carboxylic acid, 1,2,3,7-tetrahydro-2-(2-(dimethylamino)ethyl)-8-methyl-, ethyl ester is 331.19 g/mol.
Where can I buy Pyrrolo(3,2-f)(1,3)benzoxazine-9-carboxylic acid, 1,2,3,7-tetrahydro-2-(2-(dimethylamino)ethyl)-8-methyl-, ethyl ester?
You can request a quote for Pyrrolo(3,2-f)(1,3)benzoxazine-9-carboxylic acid, 1,2,3,7-tetrahydro-2-(2-(dimethylamino)ethyl)-8-methyl-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrrolo(3,2-f)(1,3)benzoxazine-9-carboxylic acid, 1,2,3,7-tetrahydro-2-(2-(dimethylamino)ethyl)-8-methyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Pyrrolo(3,2-f)(1,3)benzoxazine-9-carboxylic acid, 1,2,3,7-tetrahydro-2-(2-(dimethylamino)ethyl)-8-methyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.