4H-3,1-Benzoxazin-2-one, 1,2-dihydro-6-chloro-4,4-dimethyl-
TL;DR: 4H-3,1-Benzoxazin-2-one, 1,2-dihydro-6-chloro-4,4-dimethyl- (CAS 21441-00-9) is a chemical compound with molecular formula C10H10ClNO2 and molecular weight 211.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-4,4-dimethyl-1H-3,1-benzoxazin-2-one
Also Known As: 6-chloro-4,4-dimethyl-1H-3,1-benzoxazin-2-one, 6-Chloro-1,2-dihydro-4,4-dimethyl-4H-3,1-benzoxazin-2-one, 4H-3,1-BENZOXAZIN-2-ONE, 1,2-DIHYDRO-6-CHLORO-4,4-DIMETHYL-, 6-Chloro-4,4-dimethyl-1,4-dihydro-2H-benzo[d][1,3]oxazin-2-one, 6-Chloro-1,4-dihydro-4,4-dimethyl-2H-3,1-benzoxazin-2-one
| Molecular Formula | C10H10ClNO2 |
|---|---|
| Molecular Weight | 211.04 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 211.04001 |
| Heavy Atoms | 14 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 21441-00-9 |
|---|---|
| SMILES | CC1(C2=C(C=CC(=C2)Cl)NC(=O)O1)C |
| InChIKey | SHGXSFRQFGAMKD-UHFFFAOYSA-N |
Product Overview
4H-3,1-Benzoxazin-2-one, 1,2-dihydro-6-chloro-4,4-dimethyl- (CAS 21441-00-9), with molecular formula C10H10ClNO2 and molecular weight 211.04 g/mol. IUPAC: 6-chloro-4,4-dimethyl-1H-3,1-benzoxazin-2-one.
Chemical Property Profile of 4H-3,1-Benzoxazin-2-one, 1,2-dihydro-6-chloro-4,4-dimethyl-
Property Insights of 4H-3,1-Benzoxazin-2-one, 1,2-dihydro-6-chloro-4,4-dimethyl-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-3,1-Benzoxazin-2-one, 1,2-dihydro-6-chloro-4,4-dimethyl-. With a topological polar surface area (TPSA) of 38.3 Ų, 4H-3,1-Benzoxazin-2-one, 1,2-dihydro-6-chloro-4,4-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-3,1-Benzoxazin-2-one, 1,2-dihydro-6-chloro-4,4-dimethyl- 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 4H-3,1-Benzoxazin-2-one, 1,2-dihydro-6-chloro-4,4-dimethyl-?
The CAS number of 4H-3,1-Benzoxazin-2-one, 1,2-dihydro-6-chloro-4,4-dimethyl- is 21441-00-9.
What is the molecular formula of 4H-3,1-Benzoxazin-2-one, 1,2-dihydro-6-chloro-4,4-dimethyl-?
The molecular formula of 4H-3,1-Benzoxazin-2-one, 1,2-dihydro-6-chloro-4,4-dimethyl- is C10H10ClNO2.
What is the molecular weight of 4H-3,1-Benzoxazin-2-one, 1,2-dihydro-6-chloro-4,4-dimethyl-?
The molecular weight of 4H-3,1-Benzoxazin-2-one, 1,2-dihydro-6-chloro-4,4-dimethyl- is 211.04 g/mol.
Where can I buy 4H-3,1-Benzoxazin-2-one, 1,2-dihydro-6-chloro-4,4-dimethyl-?
You can request a quote for 4H-3,1-Benzoxazin-2-one, 1,2-dihydro-6-chloro-4,4-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-3,1-Benzoxazin-2-one, 1,2-dihydro-6-chloro-4,4-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 4H-3,1-Benzoxazin-2-one, 1,2-dihydro-6-chloro-4,4-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.