Bis(6-methylheptyl) 2,2'-disulfanediyldibenzoate
TL;DR: Bis(6-methylheptyl) 2,2'-disulfanediyldibenzoate (CAS 5406-99-5) is a chemical compound with molecular formula C30H42O4S2 and molecular weight 530.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methylheptyl 2-[[2-(6-methylheptoxycarbonyl)phenyl]disulfanyl]benzoate
Also Known As: Bis(6-methylheptyl) 2,2'-disulfanediyldibenzoate, 6-methylheptyl 2-[[2-(6-methylheptoxycarbonyl)phenyl]disulfa, 6-methylheptyl 2-[[2-(6-methylheptoxycarbonyl)phenyl]disulfanyl]benzoate
| Molecular Formula | C30H42O4S2 |
|---|---|
| Molecular Weight | 530.25 g/mol |
| LogP | 10.0 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 19 |
| Exact Mass | 530.25244 |
| Heavy Atoms | 36 |
| Complexity | 558.0 |
Chemical Identifiers
| CAS Number | 5406-99-5 |
|---|---|
| SMILES | CC(C)CCCCCOC(=O)C1=CC=CC=C1SSC2=CC=CC=C2C(=O)OCCCCCC(C)C |
| InChIKey | YSHUAWNKIOSZNC-UHFFFAOYSA-N |
Product Overview
Bis(6-methylheptyl) 2,2'-disulfanediyldibenzoate (CAS 5406-99-5), with molecular formula C30H42O4S2 and molecular weight 530.25 g/mol. IUPAC: 6-methylheptyl 2-[[2-(6-methylheptoxycarbonyl)phenyl]disulfanyl]benzoate.
Chemical Property Profile of Bis(6-methylheptyl) 2,2'-disulfanediyldibenzoate
Property Insights of Bis(6-methylheptyl) 2,2'-disulfanediyldibenzoate
The XLogP value of 10.0 indicates that Bis(6-methylheptyl) 2,2'-disulfanediyldibenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Bis(6-methylheptyl) 2,2'-disulfanediyldibenzoate. Following Lipinski's Rule of Five, Bis(6-methylheptyl) 2,2'-disulfanediyldibenzoate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bis(6-methylheptyl) 2,2'-disulfanediyldibenzoate?
The CAS number of Bis(6-methylheptyl) 2,2'-disulfanediyldibenzoate is 5406-99-5.
What is the molecular formula of Bis(6-methylheptyl) 2,2'-disulfanediyldibenzoate?
The molecular formula of Bis(6-methylheptyl) 2,2'-disulfanediyldibenzoate is C30H42O4S2.
What is the molecular weight of Bis(6-methylheptyl) 2,2'-disulfanediyldibenzoate?
The molecular weight of Bis(6-methylheptyl) 2,2'-disulfanediyldibenzoate is 530.25 g/mol.
Where can I buy Bis(6-methylheptyl) 2,2'-disulfanediyldibenzoate?
You can request a quote for Bis(6-methylheptyl) 2,2'-disulfanediyldibenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(6-methylheptyl) 2,2'-disulfanediyldibenzoate?
Yes, KEHONG BIO provides custom synthesis services for Bis(6-methylheptyl) 2,2'-disulfanediyldibenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.