Dodecyl 5,5-dibutyl-9-oxo-10-oxa-4,6-dithia-5-stannadocosanoate
TL;DR: Dodecyl 5,5-dibutyl-9-oxo-10-oxa-4,6-dithia-5-stannadocosanoate (CAS 51287-83-3) is a chemical compound with molecular formula C38H76O4S2Sn and molecular weight 780.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dodecyl 3-[dibutyl-(3-dodecoxy-3-oxopropyl)sulfanylstannyl]sulfanylpropanoate
Also Known As: EINECS 257-110-9, Dodecyl 5,5-dibutyl-9-oxo-10-oxa-4,6-dithia-5-stannadocosanoate, Propanoic acid, 3,3'-((dibutylstannylene)bis(thio))bis-, didodecyl ester, Dodecyl 3-[dibutyl-(3-dodecoxy-3-oxopropyl)sulfanylstannyl]s, Dodecyl 5,5-dibutyl-9-oxo-10-oxa-4,6-dithia-5-stannadocosan-1-oate
| Molecular Formula | C38H76O4S2Sn |
|---|---|
| Molecular Weight | 780.42 g/mol |
| LogP | 13.2036 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 36 |
| Exact Mass | 780.4207 |
| Heavy Atoms | 45 |
| Complexity | 595.24 |
Chemical Identifiers
| CAS Number | 51287-83-3 |
|---|---|
| SMILES | CCCCCCCCCCCCOC(=O)CCS[Sn](CCCC)(CCCC)SCCC(=O)OCCCCCCCCCCCC |
Product Overview
Dodecyl 5,5-dibutyl-9-oxo-10-oxa-4,6-dithia-5-stannadocosanoate (CAS 51287-83-3), with molecular formula C38H76O4S2Sn and molecular weight 780.42 g/mol. IUPAC: dodecyl 3-[dibutyl-(3-dodecoxy-3-oxopropyl)sulfanylstannyl]sulfanylpropanoate.
Chemical Property Profile of Dodecyl 5,5-dibutyl-9-oxo-10-oxa-4,6-dithia-5-stannadocosanoate
Property Insights of Dodecyl 5,5-dibutyl-9-oxo-10-oxa-4,6-dithia-5-stannadocosanoate
The XLogP value of 13.2036 indicates that Dodecyl 5,5-dibutyl-9-oxo-10-oxa-4,6-dithia-5-stannadocosanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Dodecyl 5,5-dibutyl-9-oxo-10-oxa-4,6-dithia-5-stannadocosanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dodecyl 5,5-dibutyl-9-oxo-10-oxa-4,6-dithia-5-stannadocosanoate 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 Dodecyl 5,5-dibutyl-9-oxo-10-oxa-4,6-dithia-5-stannadocosanoate?
The CAS number of Dodecyl 5,5-dibutyl-9-oxo-10-oxa-4,6-dithia-5-stannadocosanoate is 51287-83-3.
What is the molecular formula of Dodecyl 5,5-dibutyl-9-oxo-10-oxa-4,6-dithia-5-stannadocosanoate?
The molecular formula of Dodecyl 5,5-dibutyl-9-oxo-10-oxa-4,6-dithia-5-stannadocosanoate is C38H76O4S2Sn.
What is the molecular weight of Dodecyl 5,5-dibutyl-9-oxo-10-oxa-4,6-dithia-5-stannadocosanoate?
The molecular weight of Dodecyl 5,5-dibutyl-9-oxo-10-oxa-4,6-dithia-5-stannadocosanoate is 780.42 g/mol.
Where can I buy Dodecyl 5,5-dibutyl-9-oxo-10-oxa-4,6-dithia-5-stannadocosanoate?
You can request a quote for Dodecyl 5,5-dibutyl-9-oxo-10-oxa-4,6-dithia-5-stannadocosanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dodecyl 5,5-dibutyl-9-oxo-10-oxa-4,6-dithia-5-stannadocosanoate?
Yes, KEHONG BIO provides custom synthesis services for Dodecyl 5,5-dibutyl-9-oxo-10-oxa-4,6-dithia-5-stannadocosanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.