Heptanoic acid, dithiobis(2,1-phenylenecarbonylimino-3,1-propanediyl)ester
TL;DR: Heptanoic acid, dithiobis(2,1-phenylenecarbonylimino-3,1-propanediyl)ester (CAS 88848-51-5) is a chemical compound with molecular formula C34H48N2O6S2 and molecular weight 644.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-[[2-(3-heptanoyloxypropylcarbamoyl)phenyl]disulfanyl]benzoyl]amino]propyl heptanoate
Also Known As: Benzamide der., Heptanoic acid, dithiobis(2,1-phenylenecarbonylimino-3,1-propanediyl)ester, 3-[[2-[[2-(3-heptanoyloxypropylcarbamoyl)phenyl]disulfanyl]benzoyl]amino]propyl heptanoate, ({[Disulfanediylbis(2,1-phenylene)carbonyl]azanediyl}propane-3,1-diyl) diheptanoate
| Molecular Formula | C34H48N2O6S2 |
|---|---|
| Molecular Weight | 644.30 g/mol |
| LogP | 8.0 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 25 |
| Exact Mass | 644.29535 |
| Heavy Atoms | 44 |
| Complexity | 764.0 |
Chemical Identifiers
| CAS Number | 88848-51-5 |
|---|---|
| SMILES | CCCCCCC(=O)OCCCNC(=O)C1=CC=CC=C1SSC2=CC=CC=C2C(=O)NCCCOC(=O)CCCCCC |
| InChIKey | GBRPQGVGUXTSPX-UHFFFAOYSA-N |
Product Overview
Heptanoic acid, dithiobis(2,1-phenylenecarbonylimino-3,1-propanediyl)ester (CAS 88848-51-5), with molecular formula C34H48N2O6S2 and molecular weight 644.30 g/mol. IUPAC: 3-[[2-[[2-(3-heptanoyloxypropylcarbamoyl)phenyl]disulfanyl]benzoyl]amino]propyl heptanoate.
Chemical Property Profile of Heptanoic acid, dithiobis(2,1-phenylenecarbonylimino-3,1-propanediyl)ester
Property Insights of Heptanoic acid, dithiobis(2,1-phenylenecarbonylimino-3,1-propanediyl)ester
The XLogP value of 8.0 indicates that Heptanoic 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 Heptanoic acid, dithiobis(2,1-phenylenecarbonylimino-3,1-propanediyl)ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Heptanoic 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 Heptanoic acid, dithiobis(2,1-phenylenecarbonylimino-3,1-propanediyl)ester?
The CAS number of Heptanoic acid, dithiobis(2,1-phenylenecarbonylimino-3,1-propanediyl)ester is 88848-51-5.
What is the molecular formula of Heptanoic acid, dithiobis(2,1-phenylenecarbonylimino-3,1-propanediyl)ester?
The molecular formula of Heptanoic acid, dithiobis(2,1-phenylenecarbonylimino-3,1-propanediyl)ester is C34H48N2O6S2.
What is the molecular weight of Heptanoic acid, dithiobis(2,1-phenylenecarbonylimino-3,1-propanediyl)ester?
The molecular weight of Heptanoic acid, dithiobis(2,1-phenylenecarbonylimino-3,1-propanediyl)ester is 644.30 g/mol.
Where can I buy Heptanoic acid, dithiobis(2,1-phenylenecarbonylimino-3,1-propanediyl)ester?
You can request a quote for Heptanoic 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 Heptanoic acid, dithiobis(2,1-phenylenecarbonylimino-3,1-propanediyl)ester?
Yes, KEHONG BIO provides custom synthesis services for Heptanoic acid, dithiobis(2,1-phenylenecarbonylimino-3,1-propanediyl)ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.