4-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-carbonyl chloride
TL;DR: 4-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-carbonyl chloride (CAS 499770-73-9) 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.
4-methyl-2,3-dihydro-1,4-benzoxazine-7-carbonyl chloride
Also Known As: 4-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-carbonyl chloride, 1-methylbenzotriazole-5-carbaldehyde, 4-methyl-2,3-dihydro-1,4-benzoxazine-7-carbonyl chloride, 4-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-carbonyl chloride, 4-Methyl-2,3-dihydro-2H-1,4-benzoxazine-7-carbonyl chloride
| Molecular Formula | C10H10ClNO2 |
|---|---|
| Molecular Weight | 211.04 g/mol |
| LogP | 1.8942 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 211.04001 |
| Heavy Atoms | 14 |
| Complexity | 378.3848 |
Chemical Identifiers
| CAS Number | 499770-73-9 |
|---|---|
| SMILES | CN1CCOC2=C1C=CC(=C2)C(=O)Cl |
Product Overview
4-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-carbonyl chloride (CAS 499770-73-9), with molecular formula C10H10ClNO2 and molecular weight 211.04 g/mol. IUPAC: 4-methyl-2,3-dihydro-1,4-benzoxazine-7-carbonyl chloride.
Chemical Property Profile of 4-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-carbonyl chloride
Property Insights of 4-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-carbonyl chloride
The XLogP value of 1.8942 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-carbonyl chloride. With a topological polar surface area (TPSA) of 29.54 Ų, 4-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-carbonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-carbonyl chloride has 0 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 4-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-carbonyl chloride?
The CAS number of 4-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-carbonyl chloride is 499770-73-9.
What is the molecular formula of 4-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-carbonyl chloride?
The molecular formula of 4-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-carbonyl chloride is C10H10ClNO2.
What is the molecular weight of 4-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-carbonyl chloride?
The molecular weight of 4-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-carbonyl chloride is 211.04 g/mol.
Where can I buy 4-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-carbonyl chloride?
You can request a quote for 4-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-carbonyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-carbonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-carbonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.