RefChem:1075497
TL;DR: RefChem:1075497 (CAS 91119-88-9) is a chemical compound with molecular formula C20H29N3O4S and molecular weight 407.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 2-[(E)-1-(4-ethyl-3-oxo-1,4-benzothiazin-6-yl)ethylideneamino]oxyacetate
Also Known As: Acetic acid, (((1-(4-ethyl-3,4-dihydro-3-oxo-2H-1,4-benzothiazin-6-yl)ethylidene)amino)oxy)-,2-(diethylamino)ethyl ester, ACETIC ACID (((1-(4-ETHYL-3,4-DIHYDRO-3-OXO-2H-1,4-BENZOTHIAZIN-6-YL)ETHYLIDENE)AMINO)OXY)-,2-(DIETHYLAMINO)ETHYL ESTER, Acetic acid(((1-(4-ethyl-3,4-dihydro-3-oxo-2H-1,4-benzothiazin-6-yl)ethylidene)amino)oxy)-,2-(diethylamino)ethyl ester, RefChem:1075497, BRN 4589723
| Molecular Formula | C20H29N3O4S |
|---|---|
| Molecular Weight | 407.19 g/mol |
| LogP | 2.7708 |
| Topological Polar Surface Area | 71.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 407.18787 |
| Heavy Atoms | 28 |
| Complexity | 719.4024 |
Chemical Identifiers
| CAS Number | 91119-88-9 |
|---|---|
| SMILES | CCN1C(=O)CSC2=C1C=C(C=C2)/C(=N/OCC(=O)OCCN(CC)CC)/C |
Product Overview
RefChem:1075497 (CAS 91119-88-9), with molecular formula C20H29N3O4S and molecular weight 407.19 g/mol. IUPAC: 2-(diethylamino)ethyl 2-[(E)-1-(4-ethyl-3-oxo-1,4-benzothiazin-6-yl)ethylideneamino]oxyacetate.
Chemical Property Profile of RefChem:1075497
Property Insights of RefChem:1075497
The XLogP value of 2.7708 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1075497. The TPSA of 71.44 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1075497. Following Lipinski's Rule of Five, RefChem:1075497 has 0 hydrogen bond donor(s) and 7 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:1075497?
The CAS number of RefChem:1075497 is 91119-88-9.
What is the molecular formula of RefChem:1075497?
The molecular formula of RefChem:1075497 is C20H29N3O4S.
What is the molecular weight of RefChem:1075497?
The molecular weight of RefChem:1075497 is 407.19 g/mol.
Where can I buy RefChem:1075497?
You can request a quote for RefChem:1075497 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1075497?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1075497 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.