1H-2,3-Benzoxazine, 3,4-dihydro-6-chloro-3-propionyl-
TL;DR: 1H-2,3-Benzoxazine, 3,4-dihydro-6-chloro-3-propionyl- (CAS 21977-39-9) is a chemical compound with molecular formula C11H12ClNO2 and molecular weight 225.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(6-chloro-1,4-dihydro-2,3-benzoxazin-3-yl)propan-1-one
Also Known As: 1H-2,3-BENZOXAZINE, 3,4-DIHYDRO-6-CHLORO-3-PROPIONYL-, 6-Chloro-3-propionyl-3,4-dihydro-1H-2,3-benzoxazine, 1H-2,3-Benzoxazine, 6-chloro-3,4-dihydro-3-propionyl-, 6-Chloro-3,4-dihydro-3-propionyl-1H-2,3-benzoxazine, 1-(6-chloro-1,4-dihydro-2,3-benzoxazin-3-yl)propan-1-one
| Molecular Formula | C11H12ClNO2 |
|---|---|
| Molecular Weight | 225.06 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 225.05565 |
| Heavy Atoms | 15 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 21977-39-9 |
|---|---|
| SMILES | CCC(=O)N1CC2=C(CO1)C=CC(=C2)Cl |
| InChIKey | HXLCWJFBAHHGQB-UHFFFAOYSA-N |
Product Overview
1H-2,3-Benzoxazine, 3,4-dihydro-6-chloro-3-propionyl- (CAS 21977-39-9), with molecular formula C11H12ClNO2 and molecular weight 225.06 g/mol. IUPAC: 1-(6-chloro-1,4-dihydro-2,3-benzoxazin-3-yl)propan-1-one.
Chemical Property Profile of 1H-2,3-Benzoxazine, 3,4-dihydro-6-chloro-3-propionyl-
Property Insights of 1H-2,3-Benzoxazine, 3,4-dihydro-6-chloro-3-propionyl-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-2,3-Benzoxazine, 3,4-dihydro-6-chloro-3-propionyl-. With a topological polar surface area (TPSA) of 29.5 Ų, 1H-2,3-Benzoxazine, 3,4-dihydro-6-chloro-3-propionyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-2,3-Benzoxazine, 3,4-dihydro-6-chloro-3-propionyl- has 0 hydrogen bond donor(s) and 2 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 1H-2,3-Benzoxazine, 3,4-dihydro-6-chloro-3-propionyl-?
The CAS number of 1H-2,3-Benzoxazine, 3,4-dihydro-6-chloro-3-propionyl- is 21977-39-9.
What is the molecular formula of 1H-2,3-Benzoxazine, 3,4-dihydro-6-chloro-3-propionyl-?
The molecular formula of 1H-2,3-Benzoxazine, 3,4-dihydro-6-chloro-3-propionyl- is C11H12ClNO2.
What is the molecular weight of 1H-2,3-Benzoxazine, 3,4-dihydro-6-chloro-3-propionyl-?
The molecular weight of 1H-2,3-Benzoxazine, 3,4-dihydro-6-chloro-3-propionyl- is 225.06 g/mol.
Where can I buy 1H-2,3-Benzoxazine, 3,4-dihydro-6-chloro-3-propionyl-?
You can request a quote for 1H-2,3-Benzoxazine, 3,4-dihydro-6-chloro-3-propionyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-2,3-Benzoxazine, 3,4-dihydro-6-chloro-3-propionyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-2,3-Benzoxazine, 3,4-dihydro-6-chloro-3-propionyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.