BAS 00458950
TL;DR: BAS 00458950 (CAS 33350-83-3) is a chemical compound with molecular formula C11H9NO4 and molecular weight 219.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2E)-2-(2-oxo-4H-1,4-benzoxazin-3-ylidene)acetate
Also Known As: BAS 00458950, 3-(Methoxycarbonylmethylene)-2H-1,4-benzoxazin-2-one, METHYL (2E)-2-(9-OXO-10-OXA-7-AZABICYCLO[4.4.0]DECA-1,3,5-TRIEN-8-YLIDENE)ACETATE, (2-Oxo-4H-benzo[1,4]oxazin-3-ylidene)-acetic acid methyl ester, methyl 2-(2-oxo-4H-1,4-benzoxazin-3-ylidene)acetate
| Molecular Formula | C11H9NO4 |
|---|---|
| Molecular Weight | 219.05 g/mol |
| LogP | 1.0744 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 219.05316 |
| Heavy Atoms | 16 |
| Complexity | 478.62784 |
Chemical Identifiers
| CAS Number | 33350-83-3 |
|---|---|
| SMILES | COC(=O)/C=C/1\C(=O)OC2=CC=CC=C2N1 |
Product Overview
BAS 00458950 (CAS 33350-83-3), with molecular formula C11H9NO4 and molecular weight 219.05 g/mol. IUPAC: methyl (2E)-2-(2-oxo-4H-1,4-benzoxazin-3-ylidene)acetate.
Chemical Property Profile of BAS 00458950
Property Insights of BAS 00458950
The XLogP value of 1.0744 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00458950. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00458950. Following Lipinski's Rule of Five, BAS 00458950 has 1 hydrogen bond donor(s) and 5 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 BAS 00458950?
The CAS number of BAS 00458950 is 33350-83-3.
What is the molecular formula of BAS 00458950?
The molecular formula of BAS 00458950 is C11H9NO4.
What is the molecular weight of BAS 00458950?
The molecular weight of BAS 00458950 is 219.05 g/mol.
Where can I buy BAS 00458950?
You can request a quote for BAS 00458950 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00458950?
Yes, KEHONG BIO provides custom synthesis services for BAS 00458950 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.