BAS 00455380
TL;DR: BAS 00455380 (CAS 296266-69-8) is a chemical compound with molecular formula C12H15NO4 and molecular weight 237.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (4E)-4-hydroxyimino-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylate
Also Known As: BAS 00455380, A1043/0048892, (E)-ethyl 4-(hydroxyimino)-3-methyl-4,5,6,7-tetrahydrobenzofuran-2-carboxylate, 4-Hydroxyimino-3-methyl-4,5,6,7-tetrahydro-benzofuran-2-carboxylic acid ethyl ester, ethyl (4E)-4-hydroxyimino-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylate
| Molecular Formula | C12H15NO4 |
|---|---|
| Molecular Weight | 237.10 g/mol |
| LogP | 2.27932 |
| Topological Polar Surface Area | 72.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.10011 |
| Heavy Atoms | 17 |
| Complexity | 473.09534 |
Chemical Identifiers
| CAS Number | 296266-69-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(C\2=C(O1)CCC/C2=N\O)C |
Product Overview
BAS 00455380 (CAS 296266-69-8), with molecular formula C12H15NO4 and molecular weight 237.10 g/mol. IUPAC: ethyl (4E)-4-hydroxyimino-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylate.
Chemical Property Profile of BAS 00455380
Property Insights of BAS 00455380
The XLogP value of 2.27932 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00455380. The TPSA of 72.03 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00455380. Following Lipinski's Rule of Five, BAS 00455380 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 00455380?
The CAS number of BAS 00455380 is 296266-69-8.
What is the molecular formula of BAS 00455380?
The molecular formula of BAS 00455380 is C12H15NO4.
What is the molecular weight of BAS 00455380?
The molecular weight of BAS 00455380 is 237.10 g/mol.
Where can I buy BAS 00455380?
You can request a quote for BAS 00455380 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00455380?
Yes, KEHONG BIO provides custom synthesis services for BAS 00455380 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.