Pyrrolo(3,2-f)(1,3)benzoxazine-9-carboxylic acid, 1,2,3,7-tetrahydro-2-(1-methylethyl)-, methyl ester
TL;DR: Pyrrolo(3,2-f)(1,3)benzoxazine-9-carboxylic acid, 1,2,3,7-tetrahydro-2-(1-methylethyl)-, methyl ester (CAS 54495-65-7) is a chemical compound with molecular formula C16H20N2O3 and molecular weight 288.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 8-methyl-2-propan-2-yl-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-(1-methylethyl)-, methyl ester, methyl 8-methyl-2-propan-2-yl-3,7-dihydro-1H-pyrrolo[3,2-f][1,3]benzoxazine-9-carboxylate, Methyl 8-methyl-2-(propan-2-yl)-1,2,3,7-tetrahydro[1,3]oxazino[5,6-e]indole-9-carboxylate, RefChem:378276
| Molecular Formula | C16H20N2O3 |
|---|---|
| Molecular Weight | 288.15 g/mol |
| LogP | 2.82322 |
| Topological Polar Surface Area | 54.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 288.1474 |
| Heavy Atoms | 21 |
| Complexity | 703.1003 |
Chemical Identifiers
| CAS Number | 54495-65-7 |
|---|---|
| SMILES | CC1=C(C2=C(N1)C=CC3=C2CN(CO3)C(C)C)C(=O)OC |
Product Overview
Pyrrolo(3,2-f)(1,3)benzoxazine-9-carboxylic acid, 1,2,3,7-tetrahydro-2-(1-methylethyl)-, methyl ester (CAS 54495-65-7), with molecular formula C16H20N2O3 and molecular weight 288.15 g/mol. IUPAC: methyl 8-methyl-2-propan-2-yl-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-(1-methylethyl)-, methyl ester
Property Insights of Pyrrolo(3,2-f)(1,3)benzoxazine-9-carboxylic acid, 1,2,3,7-tetrahydro-2-(1-methylethyl)-, methyl ester
The XLogP value of 2.82322 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-(1-methylethyl)-, methyl ester. With a topological polar surface area (TPSA) of 54.56 Ų, Pyrrolo(3,2-f)(1,3)benzoxazine-9-carboxylic acid, 1,2,3,7-tetrahydro-2-(1-methylethyl)-, methyl 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-(1-methylethyl)-, methyl ester has 1 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 Pyrrolo(3,2-f)(1,3)benzoxazine-9-carboxylic acid, 1,2,3,7-tetrahydro-2-(1-methylethyl)-, methyl ester?
The CAS number of Pyrrolo(3,2-f)(1,3)benzoxazine-9-carboxylic acid, 1,2,3,7-tetrahydro-2-(1-methylethyl)-, methyl ester is 54495-65-7.
What is the molecular formula of Pyrrolo(3,2-f)(1,3)benzoxazine-9-carboxylic acid, 1,2,3,7-tetrahydro-2-(1-methylethyl)-, methyl ester?
The molecular formula of Pyrrolo(3,2-f)(1,3)benzoxazine-9-carboxylic acid, 1,2,3,7-tetrahydro-2-(1-methylethyl)-, methyl ester is C16H20N2O3.
What is the molecular weight of Pyrrolo(3,2-f)(1,3)benzoxazine-9-carboxylic acid, 1,2,3,7-tetrahydro-2-(1-methylethyl)-, methyl ester?
The molecular weight of Pyrrolo(3,2-f)(1,3)benzoxazine-9-carboxylic acid, 1,2,3,7-tetrahydro-2-(1-methylethyl)-, methyl ester is 288.15 g/mol.
Where can I buy Pyrrolo(3,2-f)(1,3)benzoxazine-9-carboxylic acid, 1,2,3,7-tetrahydro-2-(1-methylethyl)-, methyl ester?
You can request a quote for Pyrrolo(3,2-f)(1,3)benzoxazine-9-carboxylic acid, 1,2,3,7-tetrahydro-2-(1-methylethyl)-, methyl 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-(1-methylethyl)-, methyl 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-(1-methylethyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.