Butanoic acid, dithiobis(2,1-phenylenecarbonylimino-3,1-propanediyl) ester
TL;DR: Butanoic acid, dithiobis(2,1-phenylenecarbonylimino-3,1-propanediyl) ester (CAS 88848-49-1) is a chemical compound with molecular formula C28H36N2O6S2 and molecular weight 560.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-[[2-(3-butanoyloxypropylcarbamoyl)phenyl]disulfanyl]benzoyl]amino]propyl butanoate
Also Known As: Benzamide der., Butanoic acid, dithiobis(2,1-phenylenecarbonylimino-3,1-propanediyl) ester, 3-[[2-[[2-(3-butanoyloxypropylcarbamoyl)phenyl]disulfanyl]benzoyl]amino]propyl butanoate, ({[Disulfanediylbis(2,1-phenylene)carbonyl]azanediyl}propane-3,1-diyl) dibutanoate
| Molecular Formula | C28H36N2O6S2 |
|---|---|
| Molecular Weight | 560.20 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 19 |
| Exact Mass | 560.2015 |
| Heavy Atoms | 38 |
| Complexity | 678.0 |
Chemical Identifiers
| CAS Number | 88848-49-1 |
|---|---|
| SMILES | CCCC(=O)OCCCNC(=O)C1=CC=CC=C1SSC2=CC=CC=C2C(=O)NCCCOC(=O)CCC |
| InChIKey | AOLBBZSTKGDVSM-UHFFFAOYSA-N |
Product Overview
Butanoic acid, dithiobis(2,1-phenylenecarbonylimino-3,1-propanediyl) ester (CAS 88848-49-1), with molecular formula C28H36N2O6S2 and molecular weight 560.20 g/mol. IUPAC: 3-[[2-[[2-(3-butanoyloxypropylcarbamoyl)phenyl]disulfanyl]benzoyl]amino]propyl butanoate.
Chemical Property Profile of Butanoic acid, dithiobis(2,1-phenylenecarbonylimino-3,1-propanediyl) ester
Property Insights of Butanoic acid, dithiobis(2,1-phenylenecarbonylimino-3,1-propanediyl) ester
The XLogP value of 4.7 indicates that Butanoic acid, dithiobis(2,1-phenylenecarbonylimino-3,1-propanediyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 161.0 Ų indicates high polarity, suggesting Butanoic acid, dithiobis(2,1-phenylenecarbonylimino-3,1-propanediyl) ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Butanoic acid, dithiobis(2,1-phenylenecarbonylimino-3,1-propanediyl) ester has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Butanoic acid, dithiobis(2,1-phenylenecarbonylimino-3,1-propanediyl) ester?
The CAS number of Butanoic acid, dithiobis(2,1-phenylenecarbonylimino-3,1-propanediyl) ester is 88848-49-1.
What is the molecular formula of Butanoic acid, dithiobis(2,1-phenylenecarbonylimino-3,1-propanediyl) ester?
The molecular formula of Butanoic acid, dithiobis(2,1-phenylenecarbonylimino-3,1-propanediyl) ester is C28H36N2O6S2.
What is the molecular weight of Butanoic acid, dithiobis(2,1-phenylenecarbonylimino-3,1-propanediyl) ester?
The molecular weight of Butanoic acid, dithiobis(2,1-phenylenecarbonylimino-3,1-propanediyl) ester is 560.20 g/mol.
Where can I buy Butanoic acid, dithiobis(2,1-phenylenecarbonylimino-3,1-propanediyl) ester?
You can request a quote for Butanoic acid, dithiobis(2,1-phenylenecarbonylimino-3,1-propanediyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid, dithiobis(2,1-phenylenecarbonylimino-3,1-propanediyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, dithiobis(2,1-phenylenecarbonylimino-3,1-propanediyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.