BAS 00247714
TL;DR: BAS 00247714 (CAS 301357-00-6) is a chemical compound with molecular formula C20H26N2O6S4 and molecular weight 518.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-[(5E)-5-[3-(6-methoxy-6-oxohexyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate
Also Known As: BAS 00247714, methyl 6-{(5E)-5-[3-(6-methoxy-6-oxohexyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}hexanoate, (E)-dimethyl 6,6'-(4,4'-dioxo-2,2'-dithioxo-2H,2'H-[5,5'-bithiazolylidene]-3,3'(4H,4'H)-diyl)dihexanoate, methyl 6-(5-{3-[5-(methoxycarbonyl)pentyl]-4-oxo-2-thioxo(1,3-thiazolidin-5-yl idene)}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)hexanoate, methyl 6-[(5E)-5-[3-(6-methoxy-6-oxohexyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate
| Molecular Formula | C20H26N2O6S4 |
|---|---|
| Molecular Weight | 518.07 g/mol |
| LogP | 3.3854 |
| Topological Polar Surface Area | 93.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 518.0674 |
| Heavy Atoms | 32 |
| Complexity | 762.9076 |
Chemical Identifiers
| CAS Number | 301357-00-6 |
|---|---|
| SMILES | COC(=O)CCCCCN1C(=O)/C(=C\2/C(=O)N(C(=S)S2)CCCCCC(=O)OC)/SC1=S |
Product Overview
BAS 00247714 (CAS 301357-00-6), with molecular formula C20H26N2O6S4 and molecular weight 518.07 g/mol. IUPAC: methyl 6-[(5E)-5-[3-(6-methoxy-6-oxohexyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate.
Chemical Property Profile of BAS 00247714
Property Insights of BAS 00247714
The XLogP value of 3.3854 indicates that BAS 00247714 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.22 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00247714. Following Lipinski's Rule of Five, BAS 00247714 has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00247714?
The CAS number of BAS 00247714 is 301357-00-6.
What is the molecular formula of BAS 00247714?
The molecular formula of BAS 00247714 is C20H26N2O6S4.
What is the molecular weight of BAS 00247714?
The molecular weight of BAS 00247714 is 518.07 g/mol.
Where can I buy BAS 00247714?
You can request a quote for BAS 00247714 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00247714?
Yes, KEHONG BIO provides custom synthesis services for BAS 00247714 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.