RefChem:176344
TL;DR: RefChem:176344 (CAS 36118-60-2) is a chemical compound with molecular formula C37H72O6S3Sn and molecular weight 828.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methylheptyl 3-[butyl-bis[[3-(6-methylheptoxy)-3-oxopropyl]sulfanyl]stannyl]sulfanylpropanoate
Also Known As: Butyltintris(isooctyl 3-mercaptopropionate), 2-methylsulfanyl-3-m-tolyl-3h-quinazolin-4-one, butyltin, 3-(6-methylheptoxy)-3-oxo-propane-1-thiolate, Propanoic acid, 3,3',3''-((butylstannylidyne)tris(thio))tris-, 1,1',1''-triisooctyl ester, Propanoic acid, 3,3',3''-((butylstannylidyne)tris(thio))tris-, triisooctyl ester
| Molecular Formula | C37H72O6S3Sn |
|---|---|
| Molecular Weight | 828.35 g/mol |
| LogP | 11.37 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 36 |
| Exact Mass | 828.3513 |
| Heavy Atoms | 47 |
| Complexity | 688.0 |
Chemical Identifiers
| CAS Number | 36118-60-2 |
|---|---|
| SMILES | CCCC[Sn](SCCC(=O)OCCCCCC(C)C)(SCCC(=O)OCCCCCC(C)C)SCCC(=O)OCCCCCC(C)C |
| InChIKey | ZXKSNDROELGGRH-UHFFFAOYSA-K |
Product Overview
RefChem:176344 (CAS 36118-60-2), with molecular formula C37H72O6S3Sn and molecular weight 828.35 g/mol. IUPAC: 6-methylheptyl 3-[butyl-bis[[3-(6-methylheptoxy)-3-oxopropyl]sulfanyl]stannyl]sulfanylpropanoate.
Chemical Property Profile of RefChem:176344
Property Insights of RefChem:176344
The XLogP value of 11.37 indicates that RefChem:176344 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.0 Ų indicates high polarity, suggesting RefChem:176344 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:176344 has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:176344?
The CAS number of RefChem:176344 is 36118-60-2.
What is the molecular formula of RefChem:176344?
The molecular formula of RefChem:176344 is C37H72O6S3Sn.
What is the molecular weight of RefChem:176344?
The molecular weight of RefChem:176344 is 828.35 g/mol.
Where can I buy RefChem:176344?
You can request a quote for RefChem:176344 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:176344?
Yes, KEHONG BIO provides custom synthesis services for RefChem:176344 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.