1H-2,3-Benzoxazine, 3,4-dihydro-7-chloro-3-methyl-
TL;DR: 1H-2,3-Benzoxazine, 3,4-dihydro-7-chloro-3-methyl- (CAS 21038-14-2) is a chemical compound with molecular formula C9H10ClNO and molecular weight 183.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-3-methyl-1,4-dihydro-2,3-benzoxazine
Also Known As: 7-Chloro-3-methyl-3,4-dihydro-1H-2,3-benzoxazine, 7-chloro-3-methyl-1,4-dihydro-2,3-benzoxazine, 1H-2,3-Benzoxazine, 7-chloro-3,4-dihydro-3-methyl-, 1H-2,3-BENZOXAZINE, 3,4-DIHYDRO-7-CHLORO-3-METHYL-, 7-Chloro-3,4-dihydro-3-methyl-1H-2,3-benzoxazine
| Molecular Formula | C9H10ClNO |
|---|---|
| Molecular Weight | 183.05 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 183.04509 |
| Heavy Atoms | 12 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 21038-14-2 |
|---|---|
| SMILES | CN1CC2=C(CO1)C=C(C=C2)Cl |
| InChIKey | IKGDGLRBESDXOX-UHFFFAOYSA-N |
Product Overview
1H-2,3-Benzoxazine, 3,4-dihydro-7-chloro-3-methyl- (CAS 21038-14-2), with molecular formula C9H10ClNO and molecular weight 183.05 g/mol. IUPAC: 7-chloro-3-methyl-1,4-dihydro-2,3-benzoxazine.
Chemical Property Profile of 1H-2,3-Benzoxazine, 3,4-dihydro-7-chloro-3-methyl-
Property Insights of 1H-2,3-Benzoxazine, 3,4-dihydro-7-chloro-3-methyl-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-2,3-Benzoxazine, 3,4-dihydro-7-chloro-3-methyl-. With a topological polar surface area (TPSA) of 12.5 Ų, 1H-2,3-Benzoxazine, 3,4-dihydro-7-chloro-3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-2,3-Benzoxazine, 3,4-dihydro-7-chloro-3-methyl- 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-7-chloro-3-methyl-?
The CAS number of 1H-2,3-Benzoxazine, 3,4-dihydro-7-chloro-3-methyl- is 21038-14-2.
What is the molecular formula of 1H-2,3-Benzoxazine, 3,4-dihydro-7-chloro-3-methyl-?
The molecular formula of 1H-2,3-Benzoxazine, 3,4-dihydro-7-chloro-3-methyl- is C9H10ClNO.
What is the molecular weight of 1H-2,3-Benzoxazine, 3,4-dihydro-7-chloro-3-methyl-?
The molecular weight of 1H-2,3-Benzoxazine, 3,4-dihydro-7-chloro-3-methyl- is 183.05 g/mol.
Where can I buy 1H-2,3-Benzoxazine, 3,4-dihydro-7-chloro-3-methyl-?
You can request a quote for 1H-2,3-Benzoxazine, 3,4-dihydro-7-chloro-3-methyl- 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-7-chloro-3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-2,3-Benzoxazine, 3,4-dihydro-7-chloro-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.