3-04-00-00534 (Beilstein Handbook Reference)
TL;DR: 3-04-00-00534 (Beilstein Handbook Reference) (CAS 19657-27-3) is a chemical compound with molecular formula C10H16N2O4S4 and molecular weight 356.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(ethoxycarbonylsulfanylcarbothioylamino)ethylcarbamothioylsulfanylformate
Also Known As: 3-04-00-00534 (Beilstein Handbook Reference), Carbonic acid, thio-, bis(anhydrosulfide) with ethylenebis(dithiocarbamic acid), diethyl ester, 1,10-Diethyl 3,8-dithioxo-2,9-dithia-4,7-diazadecanedioate, Thiocarbonic acid bis(anhydrosulfide) with ethylenebis(dithiocarbamic acid) diethyl ester, S,S'-(Ethane-1,2-diyldicarbamothioyl) O,O'-diethyl biscarbonothioate
| Molecular Formula | C10H16N2O4S4 |
|---|---|
| Molecular Weight | 356.00 g/mol |
| LogP | 2.5148 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 355.9993 |
| Heavy Atoms | 20 |
| Complexity | 331.16675 |
Chemical Identifiers
| CAS Number | 19657-27-3 |
|---|---|
| SMILES | CCOC(=O)SC(=S)NCCNC(=S)SC(=O)OCC |
Product Overview
3-04-00-00534 (Beilstein Handbook Reference) (CAS 19657-27-3), with molecular formula C10H16N2O4S4 and molecular weight 356.00 g/mol. IUPAC: ethyl 2-(ethoxycarbonylsulfanylcarbothioylamino)ethylcarbamothioylsulfanylformate.
Chemical Property Profile of 3-04-00-00534 (Beilstein Handbook Reference)
Property Insights of 3-04-00-00534 (Beilstein Handbook Reference)
The XLogP value of 2.5148 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-04-00-00534 (Beilstein Handbook Reference). The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-04-00-00534 (Beilstein Handbook Reference). Following Lipinski's Rule of Five, 3-04-00-00534 (Beilstein Handbook Reference) 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 3-04-00-00534 (Beilstein Handbook Reference)?
The CAS number of 3-04-00-00534 (Beilstein Handbook Reference) is 19657-27-3.
What is the molecular formula of 3-04-00-00534 (Beilstein Handbook Reference)?
The molecular formula of 3-04-00-00534 (Beilstein Handbook Reference) is C10H16N2O4S4.
What is the molecular weight of 3-04-00-00534 (Beilstein Handbook Reference)?
The molecular weight of 3-04-00-00534 (Beilstein Handbook Reference) is 356.00 g/mol.
Where can I buy 3-04-00-00534 (Beilstein Handbook Reference)?
You can request a quote for 3-04-00-00534 (Beilstein Handbook Reference) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-04-00-00534 (Beilstein Handbook Reference)?
Yes, KEHONG BIO provides custom synthesis services for 3-04-00-00534 (Beilstein Handbook Reference) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.