trimethyl (Z,3E)-3-(2-oxo-4H-1,4-benzoxazin-3-ylidene)prop-1-ene-1,2,3-tricarboxylate
TL;DR: trimethyl (Z,3E)-3-(2-oxo-4H-1,4-benzoxazin-3-ylidene)prop-1-ene-1,2,3-tricarboxylate (CAS 102718-33-2) is a chemical compound with molecular formula C17H15NO8 and molecular weight 361.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl (Z,3E)-3-(2-oxo-4H-1,4-benzoxazin-3-ylidene)prop-1-ene-1,2,3-tricarboxylate
Also Known As: trimethyl (Z,3E)-3-(2-oxo-4H-1,4-benzoxazin-3-ylidene)prop-1-ene-1,2,3-tricarboxylate, (1Z,3E)-trimethyl 3-(2-oxo-2H-benzo[b][1,4]oxazin-3(4H)-ylidene)prop-1-ene-1,2,3-tricarboxylate, 1,2,3-TRIMETHYL (1Z)-3-[(3E)-2-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-3-YLIDENE]PROP-1-ENE-1,2,3-TRICARBOXYLATE, dimethyl (3Z)-3-(methoxycarbonyl)-2-(2-oxo(4H-benzo[e]1,4-oxazin-3-ylidene))pe nt-3-ene-1,5-dioate, trimethyl (1Z,3E)-3-(2-oxo-2H-1,4-benzoxazin-3(4H)-ylidene)prop-1-ene-1,2,3-tricarboxylate
| Molecular Formula | C17H15NO8 |
|---|---|
| Molecular Weight | 361.08 g/mol |
| LogP | 0.717 |
| Topological Polar Surface Area | 117.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 361.07977 |
| Heavy Atoms | 26 |
| Complexity | 836.91956 |
Chemical Identifiers
| CAS Number | 102718-33-2 |
|---|---|
| SMILES | COC(=O)/C=C(/C(=C\1/C(=O)OC2=CC=CC=C2N1)/C(=O)OC)\C(=O)OC |
Product Overview
trimethyl (Z,3E)-3-(2-oxo-4H-1,4-benzoxazin-3-ylidene)prop-1-ene-1,2,3-tricarboxylate (CAS 102718-33-2), with molecular formula C17H15NO8 and molecular weight 361.08 g/mol. IUPAC: trimethyl (Z,3E)-3-(2-oxo-4H-1,4-benzoxazin-3-ylidene)prop-1-ene-1,2,3-tricarboxylate.
Chemical Property Profile of trimethyl (Z,3E)-3-(2-oxo-4H-1,4-benzoxazin-3-ylidene)prop-1-ene-1,2,3-tricarboxylate
Property Insights of trimethyl (Z,3E)-3-(2-oxo-4H-1,4-benzoxazin-3-ylidene)prop-1-ene-1,2,3-tricarboxylate
The XLogP value of 0.717 suggests moderate lipophilicity, balancing water solubility and membrane permeability for trimethyl (Z,3E)-3-(2-oxo-4H-1,4-benzoxazin-3-ylidene)prop-1-ene-1,2,3-tricarboxylate. The TPSA of 117.23 Ų falls within the moderate polarity range, balancing permeability and solubility for trimethyl (Z,3E)-3-(2-oxo-4H-1,4-benzoxazin-3-ylidene)prop-1-ene-1,2,3-tricarboxylate. Following Lipinski's Rule of Five, trimethyl (Z,3E)-3-(2-oxo-4H-1,4-benzoxazin-3-ylidene)prop-1-ene-1,2,3-tricarboxylate has 1 hydrogen bond donor(s) and 9 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 trimethyl (Z,3E)-3-(2-oxo-4H-1,4-benzoxazin-3-ylidene)prop-1-ene-1,2,3-tricarboxylate?
The CAS number of trimethyl (Z,3E)-3-(2-oxo-4H-1,4-benzoxazin-3-ylidene)prop-1-ene-1,2,3-tricarboxylate is 102718-33-2.
What is the molecular formula of trimethyl (Z,3E)-3-(2-oxo-4H-1,4-benzoxazin-3-ylidene)prop-1-ene-1,2,3-tricarboxylate?
The molecular formula of trimethyl (Z,3E)-3-(2-oxo-4H-1,4-benzoxazin-3-ylidene)prop-1-ene-1,2,3-tricarboxylate is C17H15NO8.
What is the molecular weight of trimethyl (Z,3E)-3-(2-oxo-4H-1,4-benzoxazin-3-ylidene)prop-1-ene-1,2,3-tricarboxylate?
The molecular weight of trimethyl (Z,3E)-3-(2-oxo-4H-1,4-benzoxazin-3-ylidene)prop-1-ene-1,2,3-tricarboxylate is 361.08 g/mol.
Where can I buy trimethyl (Z,3E)-3-(2-oxo-4H-1,4-benzoxazin-3-ylidene)prop-1-ene-1,2,3-tricarboxylate?
You can request a quote for trimethyl (Z,3E)-3-(2-oxo-4H-1,4-benzoxazin-3-ylidene)prop-1-ene-1,2,3-tricarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trimethyl (Z,3E)-3-(2-oxo-4H-1,4-benzoxazin-3-ylidene)prop-1-ene-1,2,3-tricarboxylate?
Yes, KEHONG BIO provides custom synthesis services for trimethyl (Z,3E)-3-(2-oxo-4H-1,4-benzoxazin-3-ylidene)prop-1-ene-1,2,3-tricarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.