1,4-Dithiaspiro(4.11)hexadecane-2-methanol, carbamate
TL;DR: 1,4-Dithiaspiro(4.11)hexadecane-2-methanol, carbamate (CAS 40520-31-8) is a chemical compound with molecular formula C16H29NO2S2 and molecular weight 331.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-dithiaspiro[4.11]hexadecan-3-ylmethyl carbamate
Also Known As: 1,4-Dithiaspiro(4.11)hexadecane-2-methanol, carbamate, 1,4-dithiaspiro[4.11]hexadec-2-ylmethyl carbamate, 1,4-dithiaspiro[4.11]hexadecan-3-ylmethyl carbamate, 1,4-Dithiaspiro(4.11)hexadecane-2-methanol,carbamate, (1,4-Dithiaspiro[4.11]hexadecan-2-yl)methyl hydrogen carbonimidate
| Molecular Formula | C16H29NO2S2 |
|---|---|
| Molecular Weight | 331.16 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 331.16397 |
| Heavy Atoms | 21 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 40520-31-8 |
|---|---|
| SMILES | C1CCCCCC2(CCCCC1)SCC(S2)COC(=O)N |
| InChIKey | KSNABPFNWOAKTM-UHFFFAOYSA-N |
Product Overview
1,4-Dithiaspiro(4.11)hexadecane-2-methanol, carbamate (CAS 40520-31-8), with molecular formula C16H29NO2S2 and molecular weight 331.16 g/mol. IUPAC: 1,4-dithiaspiro[4.11]hexadecan-3-ylmethyl carbamate.
Chemical Property Profile of 1,4-Dithiaspiro(4.11)hexadecane-2-methanol, carbamate
Property Insights of 1,4-Dithiaspiro(4.11)hexadecane-2-methanol, carbamate
The XLogP value of 5.7 indicates that 1,4-Dithiaspiro(4.11)hexadecane-2-methanol, carbamate 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 1,4-Dithiaspiro(4.11)hexadecane-2-methanol, carbamate. Following Lipinski's Rule of Five, 1,4-Dithiaspiro(4.11)hexadecane-2-methanol, carbamate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,4-Dithiaspiro(4.11)hexadecane-2-methanol, carbamate?
The CAS number of 1,4-Dithiaspiro(4.11)hexadecane-2-methanol, carbamate is 40520-31-8.
What is the molecular formula of 1,4-Dithiaspiro(4.11)hexadecane-2-methanol, carbamate?
The molecular formula of 1,4-Dithiaspiro(4.11)hexadecane-2-methanol, carbamate is C16H29NO2S2.
What is the molecular weight of 1,4-Dithiaspiro(4.11)hexadecane-2-methanol, carbamate?
The molecular weight of 1,4-Dithiaspiro(4.11)hexadecane-2-methanol, carbamate is 331.16 g/mol.
Where can I buy 1,4-Dithiaspiro(4.11)hexadecane-2-methanol, carbamate?
You can request a quote for 1,4-Dithiaspiro(4.11)hexadecane-2-methanol, carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dithiaspiro(4.11)hexadecane-2-methanol, carbamate?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dithiaspiro(4.11)hexadecane-2-methanol, carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.