Bqt2hyy6Q5
TL;DR: Bqt2hyy6Q5 (CAS 41834-19-9) is a chemical compound with molecular formula C16H28N2O4S2 and molecular weight 376.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[2-[2-[(4-ethoxy-4-oxobut-2-en-2-yl)amino]ethyldisulfanyl]ethylamino]but-2-enoate
Also Known As: Bis[2-(1-ethoxycarbonylprop-1-en-2-yl)aminoethyl] disulfide, ethyl (Z)-3-[2-[2-[[(Z)-4-ethoxy-4-oxobut-2-en-2-yl]amino]et, 2-Butenoic acid, 3,3'-[dithiobis(2,1-ethanediylimino)]bis-, diethyl ester, Ethyl 3,12-dimethyl-14-oxo-15-oxa-7,8-dithia-4,11-diazaheptadeca-2,12-dienoate, ethyl 3-[2-[2-[(4-ethoxy-4-oxobut-2-en-2-yl)amino]ethyldisulfanyl]ethylamino]but-2-enoate
| Molecular Formula | C16H28N2O4S2 |
|---|---|
| Molecular Weight | 376.15 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 15 |
| Exact Mass | 376.14905 |
| Heavy Atoms | 24 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 41834-19-9 |
|---|---|
| SMILES | CCOC(=O)C=C(C)NCCSSCCNC(=CC(=O)OCC)C |
| InChIKey | SEHMBTBAIUOTHI-UHFFFAOYSA-N |
Product Overview
Bqt2hyy6Q5 (CAS 41834-19-9), with molecular formula C16H28N2O4S2 and molecular weight 376.15 g/mol. IUPAC: ethyl 3-[2-[2-[(4-ethoxy-4-oxobut-2-en-2-yl)amino]ethyldisulfanyl]ethylamino]but-2-enoate.
Chemical Property Profile of Bqt2hyy6Q5
Property Insights of Bqt2hyy6Q5
The XLogP value of 3.7 indicates that Bqt2hyy6Q5 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Bqt2hyy6Q5. Following Lipinski's Rule of Five, Bqt2hyy6Q5 has 2 hydrogen bond donor(s) and 8 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 Bqt2hyy6Q5?
The CAS number of Bqt2hyy6Q5 is 41834-19-9.
What is the molecular formula of Bqt2hyy6Q5?
The molecular formula of Bqt2hyy6Q5 is C16H28N2O4S2.
What is the molecular weight of Bqt2hyy6Q5?
The molecular weight of Bqt2hyy6Q5 is 376.15 g/mol.
Where can I buy Bqt2hyy6Q5?
You can request a quote for Bqt2hyy6Q5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bqt2hyy6Q5?
Yes, KEHONG BIO provides custom synthesis services for Bqt2hyy6Q5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.