Pyrrolo(3,2-f)(1,3)benzoxazine-9-carboxylic acid, 1,2,3,7-tetrahydro-8-methyl-2-(2-(4-morpholinyl)ethyl)-, 1-methylethyl ester
TL;DR: Pyrrolo(3,2-f)(1,3)benzoxazine-9-carboxylic acid, 1,2,3,7-tetrahydro-8-methyl-2-(2-(4-morpholinyl)ethyl)-, 1-methylethyl ester (CAS 54436-13-4) is a chemical compound with molecular formula C21H29N3O4 and molecular weight 387.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 8-methyl-2-(2-morpholin-4-ylethyl)-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-8-methyl-2-(2-(4-morpholinyl)ethyl)-, 1-methylethyl ester, propan-2-yl 8-methyl-2-(2-morpholin-4-ylethyl)-3,7-dihydro-1H-pyrrolo[3,2-f][1,3]benzoxazine-9-carboxylate, Propan-2-yl 8-methyl-2-[2-(morpholin-4-yl)ethyl]-1,2,3,7-tetrahydro[1,3]oxazino[5,6-e]indole-9-carboxylate, RefChem:378283
| Molecular Formula | C21H29N3O4 |
|---|---|
| Molecular Weight | 387.22 g/mol |
| LogP | 2.52562 |
| Topological Polar Surface Area | 67.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 387.21582 |
| Heavy Atoms | 28 |
| Complexity | 854.943 |
Chemical Identifiers
| CAS Number | 54436-13-4 |
|---|---|
| SMILES | CC1=C(C2=C(N1)C=CC3=C2CN(CO3)CCN4CCOCC4)C(=O)OC(C)C |
Product Overview
Pyrrolo(3,2-f)(1,3)benzoxazine-9-carboxylic acid, 1,2,3,7-tetrahydro-8-methyl-2-(2-(4-morpholinyl)ethyl)-, 1-methylethyl ester (CAS 54436-13-4), with molecular formula C21H29N3O4 and molecular weight 387.22 g/mol. IUPAC: propan-2-yl 8-methyl-2-(2-morpholin-4-ylethyl)-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-8-methyl-2-(2-(4-morpholinyl)ethyl)-, 1-methylethyl ester
Property Insights of Pyrrolo(3,2-f)(1,3)benzoxazine-9-carboxylic acid, 1,2,3,7-tetrahydro-8-methyl-2-(2-(4-morpholinyl)ethyl)-, 1-methylethyl ester
The XLogP value of 2.52562 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-8-methyl-2-(2-(4-morpholinyl)ethyl)-, 1-methylethyl ester. The TPSA of 67.03 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrrolo(3,2-f)(1,3)benzoxazine-9-carboxylic acid, 1,2,3,7-tetrahydro-8-methyl-2-(2-(4-morpholinyl)ethyl)-, 1-methylethyl ester. Following Lipinski's Rule of Five, Pyrrolo(3,2-f)(1,3)benzoxazine-9-carboxylic acid, 1,2,3,7-tetrahydro-8-methyl-2-(2-(4-morpholinyl)ethyl)-, 1-methylethyl ester has 1 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 Pyrrolo(3,2-f)(1,3)benzoxazine-9-carboxylic acid, 1,2,3,7-tetrahydro-8-methyl-2-(2-(4-morpholinyl)ethyl)-, 1-methylethyl ester?
The CAS number of Pyrrolo(3,2-f)(1,3)benzoxazine-9-carboxylic acid, 1,2,3,7-tetrahydro-8-methyl-2-(2-(4-morpholinyl)ethyl)-, 1-methylethyl ester is 54436-13-4.
What is the molecular formula of Pyrrolo(3,2-f)(1,3)benzoxazine-9-carboxylic acid, 1,2,3,7-tetrahydro-8-methyl-2-(2-(4-morpholinyl)ethyl)-, 1-methylethyl ester?
The molecular formula of Pyrrolo(3,2-f)(1,3)benzoxazine-9-carboxylic acid, 1,2,3,7-tetrahydro-8-methyl-2-(2-(4-morpholinyl)ethyl)-, 1-methylethyl ester is C21H29N3O4.
What is the molecular weight of Pyrrolo(3,2-f)(1,3)benzoxazine-9-carboxylic acid, 1,2,3,7-tetrahydro-8-methyl-2-(2-(4-morpholinyl)ethyl)-, 1-methylethyl ester?
The molecular weight of Pyrrolo(3,2-f)(1,3)benzoxazine-9-carboxylic acid, 1,2,3,7-tetrahydro-8-methyl-2-(2-(4-morpholinyl)ethyl)-, 1-methylethyl ester is 387.22 g/mol.
Where can I buy Pyrrolo(3,2-f)(1,3)benzoxazine-9-carboxylic acid, 1,2,3,7-tetrahydro-8-methyl-2-(2-(4-morpholinyl)ethyl)-, 1-methylethyl ester?
You can request a quote for Pyrrolo(3,2-f)(1,3)benzoxazine-9-carboxylic acid, 1,2,3,7-tetrahydro-8-methyl-2-(2-(4-morpholinyl)ethyl)-, 1-methylethyl 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-8-methyl-2-(2-(4-morpholinyl)ethyl)-, 1-methylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Pyrrolo(3,2-f)(1,3)benzoxazine-9-carboxylic acid, 1,2,3,7-tetrahydro-8-methyl-2-(2-(4-morpholinyl)ethyl)-, 1-methylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.