Hexanoic acid, dithiobis(2,1-phenylenecarbonylimino-3,1-propanediyl) ester
TL;DR: Hexanoic acid, dithiobis(2,1-phenylenecarbonylimino-3,1-propanediyl) ester (CAS 88848-50-4) is a chemical compound with molecular formula C32H44N2O6S2 and molecular weight 616.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-[[2-(3-hexanoyloxypropylcarbamoyl)phenyl]disulfanyl]benzoyl]amino]propyl hexanoate
Also Known As: Benzamide der., Hexanoic acid, dithiobis(2,1-phenylenecarbonylimino-3,1-propanediyl) ester, 3-[[2-[[2-(3-hexanoyloxypropylcarbamoyl)phenyl]disulfanyl]benzoyl]amino]propyl hexanoate, ({[Disulfanediylbis(2,1-phenylene)carbonyl]azanediyl}propane-3,1-diyl) dihexanoate
| Molecular Formula | C32H44N2O6S2 |
|---|---|
| Molecular Weight | 616.26 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 23 |
| Exact Mass | 616.2641 |
| Heavy Atoms | 42 |
| Complexity | 735.0 |
Chemical Identifiers
| CAS Number | 88848-50-4 |
|---|---|
| SMILES | CCCCCC(=O)OCCCNC(=O)C1=CC=CC=C1SSC2=CC=CC=C2C(=O)NCCCOC(=O)CCCCC |
| InChIKey | FEQZRWCLMFZYFZ-UHFFFAOYSA-N |
Product Overview
Hexanoic acid, dithiobis(2,1-phenylenecarbonylimino-3,1-propanediyl) ester (CAS 88848-50-4), with molecular formula C32H44N2O6S2 and molecular weight 616.26 g/mol. IUPAC: 3-[[2-[[2-(3-hexanoyloxypropylcarbamoyl)phenyl]disulfanyl]benzoyl]amino]propyl hexanoate.
Chemical Property Profile of Hexanoic acid, dithiobis(2,1-phenylenecarbonylimino-3,1-propanediyl) ester
Property Insights of Hexanoic acid, dithiobis(2,1-phenylenecarbonylimino-3,1-propanediyl) ester
The XLogP value of 6.9 indicates that Hexanoic 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 Hexanoic acid, dithiobis(2,1-phenylenecarbonylimino-3,1-propanediyl) ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hexanoic 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 Hexanoic acid, dithiobis(2,1-phenylenecarbonylimino-3,1-propanediyl) ester?
The CAS number of Hexanoic acid, dithiobis(2,1-phenylenecarbonylimino-3,1-propanediyl) ester is 88848-50-4.
What is the molecular formula of Hexanoic acid, dithiobis(2,1-phenylenecarbonylimino-3,1-propanediyl) ester?
The molecular formula of Hexanoic acid, dithiobis(2,1-phenylenecarbonylimino-3,1-propanediyl) ester is C32H44N2O6S2.
What is the molecular weight of Hexanoic acid, dithiobis(2,1-phenylenecarbonylimino-3,1-propanediyl) ester?
The molecular weight of Hexanoic acid, dithiobis(2,1-phenylenecarbonylimino-3,1-propanediyl) ester is 616.26 g/mol.
Where can I buy Hexanoic acid, dithiobis(2,1-phenylenecarbonylimino-3,1-propanediyl) ester?
You can request a quote for Hexanoic 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 Hexanoic acid, dithiobis(2,1-phenylenecarbonylimino-3,1-propanediyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Hexanoic acid, dithiobis(2,1-phenylenecarbonylimino-3,1-propanediyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.