N-propyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
TL;DR: N-propyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (CAS 22244-18-4) is a chemical compound with molecular formula C12H16N2O2 and molecular weight 220.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-propyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
Also Known As: N-propyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide, N-Propyl-3,4-dihydro-2H-benzo[b][1,4]oxazine-2-carboxamide, 2H-1,4-Benzoxazine-2-carboxamide,3,4-dihydro-N-propyl-, 999-727-2, RefChem:831051
| Molecular Formula | C12H16N2O2 |
|---|---|
| Molecular Weight | 220.12 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 50.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 220.12119 |
| Heavy Atoms | 16 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 22244-18-4 |
|---|---|
| SMILES | CCCNC(=O)C1CNC2=CC=CC=C2O1 |
| InChIKey | MNXXJUKTNKKCCX-UHFFFAOYSA-N |
Product Overview
N-propyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (CAS 22244-18-4), with molecular formula C12H16N2O2 and molecular weight 220.12 g/mol. IUPAC: N-propyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide.
Chemical Property Profile of N-propyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
Property Insights of N-propyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-propyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide. With a topological polar surface area (TPSA) of 50.4 Ų, N-propyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-propyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide 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 N-propyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The CAS number of N-propyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide is 22244-18-4.
What is the molecular formula of N-propyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The molecular formula of N-propyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide is C12H16N2O2.
What is the molecular weight of N-propyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The molecular weight of N-propyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide is 220.12 g/mol.
Where can I buy N-propyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
You can request a quote for N-propyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-propyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-propyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.