1,3-Dithiolane-4-methanol, 2,2-dimethyl-, carbamate
TL;DR: 1,3-Dithiolane-4-methanol, 2,2-dimethyl-, carbamate (CAS 40520-27-2) is a chemical compound with molecular formula C7H13NO2S2 and molecular weight 207.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,2-dimethyl-1,3-dithiolan-4-yl)methyl carbamate
Also Known As: 2,2-Dimethyl-1,3-dithiolane-4-methanol carbamate, (2,2-dimethyl-1,3-dithiolan-4-yl)methyl carbamate, 1,3-Dithiolane-4-methanol, 2,2-dimethyl-, carbamate, 2-(2-Methyl-1-naphthylamino)-2-oxazoline, 17beta-Hydroxyestr-4-en-3-one 17-valerate
| Molecular Formula | C7H13NO2S2 |
|---|---|
| Molecular Weight | 207.04 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 207.03877 |
| Heavy Atoms | 12 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 40520-27-2 |
|---|---|
| SMILES | CC1(SCC(S1)COC(=O)N)C |
| InChIKey | NVMAYDSQOSXSJU-UHFFFAOYSA-N |
Product Overview
1,3-Dithiolane-4-methanol, 2,2-dimethyl-, carbamate (CAS 40520-27-2), with molecular formula C7H13NO2S2 and molecular weight 207.04 g/mol. IUPAC: (2,2-dimethyl-1,3-dithiolan-4-yl)methyl carbamate.
Chemical Property Profile of 1,3-Dithiolane-4-methanol, 2,2-dimethyl-, carbamate
Property Insights of 1,3-Dithiolane-4-methanol, 2,2-dimethyl-, carbamate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dithiolane-4-methanol, 2,2-dimethyl-, carbamate. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dithiolane-4-methanol, 2,2-dimethyl-, carbamate. Following Lipinski's Rule of Five, 1,3-Dithiolane-4-methanol, 2,2-dimethyl-, carbamate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-Dithiolane-4-methanol, 2,2-dimethyl-, carbamate?
The CAS number of 1,3-Dithiolane-4-methanol, 2,2-dimethyl-, carbamate is 40520-27-2.
What is the molecular formula of 1,3-Dithiolane-4-methanol, 2,2-dimethyl-, carbamate?
The molecular formula of 1,3-Dithiolane-4-methanol, 2,2-dimethyl-, carbamate is C7H13NO2S2.
What is the molecular weight of 1,3-Dithiolane-4-methanol, 2,2-dimethyl-, carbamate?
The molecular weight of 1,3-Dithiolane-4-methanol, 2,2-dimethyl-, carbamate is 207.04 g/mol.
Where can I buy 1,3-Dithiolane-4-methanol, 2,2-dimethyl-, carbamate?
You can request a quote for 1,3-Dithiolane-4-methanol, 2,2-dimethyl-, carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dithiolane-4-methanol, 2,2-dimethyl-, carbamate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dithiolane-4-methanol, 2,2-dimethyl-, carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.