methyl 7-chloro-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
TL;DR: methyl 7-chloro-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate (CAS 175205-00-2) is a chemical compound with molecular formula C11H10ClNO4 and molecular weight 255.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 7-chloro-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxylate
Also Known As: Maybridge3_005262, 4-aminobiphenyl-3-carbonitrile, methyl 7-chloro-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate, IDI1_016649, methyl 7-chloro-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxylate
| Molecular Formula | C11H10ClNO4 |
|---|---|
| Molecular Weight | 255.03 g/mol |
| LogP | 1.6026 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 255.02983 |
| Heavy Atoms | 17 |
| Complexity | 502.24484 |
Chemical Identifiers
| CAS Number | 175205-00-2 |
|---|---|
| SMILES | CC1(C(=O)NC2=C(O1)C=C(C=C2)Cl)C(=O)OC |
Product Overview
methyl 7-chloro-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate (CAS 175205-00-2), with molecular formula C11H10ClNO4 and molecular weight 255.03 g/mol. IUPAC: methyl 7-chloro-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxylate.
Chemical Property Profile of methyl 7-chloro-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
Property Insights of methyl 7-chloro-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
The XLogP value of 1.6026 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 7-chloro-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 7-chloro-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate. Following Lipinski's Rule of Five, methyl 7-chloro-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate has 1 hydrogen bond donor(s) and 4 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 methyl 7-chloro-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate?
The CAS number of methyl 7-chloro-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate is 175205-00-2.
What is the molecular formula of methyl 7-chloro-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate?
The molecular formula of methyl 7-chloro-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate is C11H10ClNO4.
What is the molecular weight of methyl 7-chloro-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate?
The molecular weight of methyl 7-chloro-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate is 255.03 g/mol.
Where can I buy methyl 7-chloro-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate?
You can request a quote for methyl 7-chloro-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 7-chloro-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 7-chloro-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.