RefChem:1075495
TL;DR: RefChem:1075495 (CAS 91119-87-8) is a chemical compound with molecular formula C14H16N2O4S and molecular weight 308.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-1-(4-ethyl-3-oxo-1,4-benzothiazin-6-yl)ethylideneamino]oxyacetic acid
Also Known As: Acetic acid, (((1-(4-ethyl-3,4-dihydro-3-oxo-2H-1,4-benzothiazin-6-yl)ethylidene)amino)oxy)-, (((1-(4-Ethyl-3,4-dihydro-3-oxo-2H-1,4-benzothiazin-6-yl)ethylidene)amino)oxy)acetic acid, RefChem:1075495, BRN 4547175
| Molecular Formula | C14H16N2O4S |
|---|---|
| Molecular Weight | 308.08 g/mol |
| LogP | 1.9704 |
| Topological Polar Surface Area | 79.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 308.08307 |
| Heavy Atoms | 21 |
| Complexity | 600.63684 |
Chemical Identifiers
| CAS Number | 91119-87-8 |
|---|---|
| SMILES | CCN1C(=O)CSC2=C1C=C(C=C2)/C(=N/OCC(=O)O)/C |
Product Overview
RefChem:1075495 (CAS 91119-87-8), with molecular formula C14H16N2O4S and molecular weight 308.08 g/mol. IUPAC: 2-[(E)-1-(4-ethyl-3-oxo-1,4-benzothiazin-6-yl)ethylideneamino]oxyacetic acid.
Chemical Property Profile of RefChem:1075495
Property Insights of RefChem:1075495
The XLogP value of 1.9704 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1075495. The TPSA of 79.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1075495. Following Lipinski's Rule of Five, RefChem:1075495 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 RefChem:1075495?
The CAS number of RefChem:1075495 is 91119-87-8.
What is the molecular formula of RefChem:1075495?
The molecular formula of RefChem:1075495 is C14H16N2O4S.
What is the molecular weight of RefChem:1075495?
The molecular weight of RefChem:1075495 is 308.08 g/mol.
Where can I buy RefChem:1075495?
You can request a quote for RefChem:1075495 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1075495?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1075495 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.