Dodecyl 9H-xanthen-9-ylcarbamodithioate
TL;DR: Dodecyl 9H-xanthen-9-ylcarbamodithioate (CAS 7467-21-2) is a chemical compound with molecular formula C26H35NOS2 and molecular weight 441.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dodecyl N-(9H-xanthen-9-yl)carbamodithioate
Also Known As: Dodecyl 9H-xanthen-9-ylcarbamodithioate, dodecyl N-(9H-xanthen-9-yl)carbamodithioate, Dodecyl 9H-xanthen-9-yldithiocarbamate
| Molecular Formula | C26H35NOS2 |
|---|---|
| Molecular Weight | 441.22 g/mol |
| LogP | 8.4103 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 441.216 |
| Heavy Atoms | 30 |
| Complexity | 746.608 |
Chemical Identifiers
| CAS Number | 7467-21-2 |
|---|---|
| SMILES | CCCCCCCCCCCCSC(=S)NC1C2=CC=CC=C2OC3=CC=CC=C13 |
Product Overview
Dodecyl 9H-xanthen-9-ylcarbamodithioate (CAS 7467-21-2), with molecular formula C26H35NOS2 and molecular weight 441.22 g/mol. IUPAC: dodecyl N-(9H-xanthen-9-yl)carbamodithioate.
Chemical Property Profile of Dodecyl 9H-xanthen-9-ylcarbamodithioate
Property Insights of Dodecyl 9H-xanthen-9-ylcarbamodithioate
The XLogP value of 8.4103 indicates that Dodecyl 9H-xanthen-9-ylcarbamodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.26 Ų, Dodecyl 9H-xanthen-9-ylcarbamodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dodecyl 9H-xanthen-9-ylcarbamodithioate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dodecyl 9H-xanthen-9-ylcarbamodithioate?
The CAS number of Dodecyl 9H-xanthen-9-ylcarbamodithioate is 7467-21-2.
What is the molecular formula of Dodecyl 9H-xanthen-9-ylcarbamodithioate?
The molecular formula of Dodecyl 9H-xanthen-9-ylcarbamodithioate is C26H35NOS2.
What is the molecular weight of Dodecyl 9H-xanthen-9-ylcarbamodithioate?
The molecular weight of Dodecyl 9H-xanthen-9-ylcarbamodithioate is 441.22 g/mol.
Where can I buy Dodecyl 9H-xanthen-9-ylcarbamodithioate?
You can request a quote for Dodecyl 9H-xanthen-9-ylcarbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dodecyl 9H-xanthen-9-ylcarbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for Dodecyl 9H-xanthen-9-ylcarbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.