1H-2,3-Benzoxazine, 3,4-dihydro-3-carbamoyl-7-chloro-
TL;DR: 1H-2,3-Benzoxazine, 3,4-dihydro-3-carbamoyl-7-chloro- (CAS 21038-17-5) is a chemical compound with molecular formula C9H9ClN2O2 and molecular weight 212.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-1,4-dihydro-2,3-benzoxazine-3-carboxamide
Also Known As: 3-Carbamoyl-7-chloro-3,4-dihydro-1H-2,3-benzoxazine, 1H-2,3-BENZOXAZINE, 3,4-DIHYDRO-3-CARBAMOYL-7-CHLORO-, 1H-2,3-Benzoxazine, 3-carbamoyl-7-chloro-3,4-dihydro-, 7-chloro-1,4-dihydro-2,3-benzoxazine-3-carboxamide, 7-Chloro-1H-2,3-benzoxazine-3(4H)-carboxamide
| Molecular Formula | C9H9ClN2O2 |
|---|---|
| Molecular Weight | 212.04 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 55.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 212.03525 |
| Heavy Atoms | 14 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 21038-17-5 |
|---|---|
| SMILES | C1C2=C(CON1C(=O)N)C=C(C=C2)Cl |
| InChIKey | OXMIHLGHUYDMCT-UHFFFAOYSA-N |
Product Overview
1H-2,3-Benzoxazine, 3,4-dihydro-3-carbamoyl-7-chloro- (CAS 21038-17-5), with molecular formula C9H9ClN2O2 and molecular weight 212.04 g/mol. IUPAC: 7-chloro-1,4-dihydro-2,3-benzoxazine-3-carboxamide.
Chemical Property Profile of 1H-2,3-Benzoxazine, 3,4-dihydro-3-carbamoyl-7-chloro-
Property Insights of 1H-2,3-Benzoxazine, 3,4-dihydro-3-carbamoyl-7-chloro-
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-2,3-Benzoxazine, 3,4-dihydro-3-carbamoyl-7-chloro-. With a topological polar surface area (TPSA) of 55.6 Ų, 1H-2,3-Benzoxazine, 3,4-dihydro-3-carbamoyl-7-chloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-2,3-Benzoxazine, 3,4-dihydro-3-carbamoyl-7-chloro- has 1 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-3-carbamoyl-7-chloro-?
The CAS number of 1H-2,3-Benzoxazine, 3,4-dihydro-3-carbamoyl-7-chloro- is 21038-17-5.
What is the molecular formula of 1H-2,3-Benzoxazine, 3,4-dihydro-3-carbamoyl-7-chloro-?
The molecular formula of 1H-2,3-Benzoxazine, 3,4-dihydro-3-carbamoyl-7-chloro- is C9H9ClN2O2.
What is the molecular weight of 1H-2,3-Benzoxazine, 3,4-dihydro-3-carbamoyl-7-chloro-?
The molecular weight of 1H-2,3-Benzoxazine, 3,4-dihydro-3-carbamoyl-7-chloro- is 212.04 g/mol.
Where can I buy 1H-2,3-Benzoxazine, 3,4-dihydro-3-carbamoyl-7-chloro-?
You can request a quote for 1H-2,3-Benzoxazine, 3,4-dihydro-3-carbamoyl-7-chloro- 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-3-carbamoyl-7-chloro-?
Yes, KEHONG BIO provides custom synthesis services for 1H-2,3-Benzoxazine, 3,4-dihydro-3-carbamoyl-7-chloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.