![3,4-dihydro-2H-benzo[1,4]oxazine-2-carboxylic acid butylamide structure](/static/products/2224/22244-19-5.webp)
3,4-dihydro-2H-benzo[1,4]oxazine-2-carboxylic acid butylamide
TL;DR: 3,4-dihydro-2H-benzo[1,4]oxazine-2-carboxylic acid butylamide (CAS 22244-19-5) is a chemical compound with molecular formula C13H18N2O2 and molecular weight 234.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
Also Known As: N-butyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide, 3,4-dihydro-2H-benzo[1,4]oxazine-2-carboxylic acid butylamide, 2(R,S)-Butylaminocarbonyl-3,4-dihydro-2H-1,4-benzoxazine, N-butyl-7-oxa-10-azabicyclo[4.4.0]deca-1,3,5-triene-8-carboxamide
| Molecular Formula | C13H18N2O2 |
|---|---|
| Molecular Weight | 234.14 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 50.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 234.13683 |
| Heavy Atoms | 17 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 22244-19-5 |
|---|---|
| SMILES | CCCCNC(=O)C1CNC2=CC=CC=C2O1 |
| InChIKey | AFWQCHIGPVMQLR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-dihydro-2H-benzo[1,4]oxazine-2-carboxylic acid butylamide (CAS 22244-19-5), with molecular formula C13H18N2O2 and molecular weight 234.14 g/mol. IUPAC: N-butyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide.
Chemical Property Profile of 3,4-dihydro-2H-benzo[1,4]oxazine-2-carboxylic acid butylamide
Property Insights of 3,4-dihydro-2H-benzo[1,4]oxazine-2-carboxylic acid butylamide
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-dihydro-2H-benzo[1,4]oxazine-2-carboxylic acid butylamide. With a topological polar surface area (TPSA) of 50.4 Ų, 3,4-dihydro-2H-benzo[1,4]oxazine-2-carboxylic acid butylamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-dihydro-2H-benzo[1,4]oxazine-2-carboxylic acid butylamide has 2 hydrogen bond donor(s) and 3 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 3,4-dihydro-2H-benzo[1,4]oxazine-2-carboxylic acid butylamide?
The CAS number of 3,4-dihydro-2H-benzo[1,4]oxazine-2-carboxylic acid butylamide is 22244-19-5.
What is the molecular formula of 3,4-dihydro-2H-benzo[1,4]oxazine-2-carboxylic acid butylamide?
The molecular formula of 3,4-dihydro-2H-benzo[1,4]oxazine-2-carboxylic acid butylamide is C13H18N2O2.
What is the molecular weight of 3,4-dihydro-2H-benzo[1,4]oxazine-2-carboxylic acid butylamide?
The molecular weight of 3,4-dihydro-2H-benzo[1,4]oxazine-2-carboxylic acid butylamide is 234.14 g/mol.
Where can I buy 3,4-dihydro-2H-benzo[1,4]oxazine-2-carboxylic acid butylamide?
You can request a quote for 3,4-dihydro-2H-benzo[1,4]oxazine-2-carboxylic acid butylamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-dihydro-2H-benzo[1,4]oxazine-2-carboxylic acid butylamide?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dihydro-2H-benzo[1,4]oxazine-2-carboxylic acid butylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.