1,4-Dithiaspiro(4.5)undecane-2-methanol, carbamate
TL;DR: 1,4-Dithiaspiro(4.5)undecane-2-methanol, carbamate (CAS 40520-29-4) is a chemical compound with molecular formula C11H19NO2S2 and molecular weight 261.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-dithiaspiro[4.6]undecan-3-ylmethyl carbamate
Also Known As: 2-Methyl-3-aminomethyl-furan, 1,4-dithiaspiro[4.6]undec-2-ylmethyl carbamate, 1,4-Dithiaspiro(4.5)undecane-2-methanol, carbamate, 1,4-dithiaspiro[4.6]undecan-3-ylmethyl carbamate, Carbamic acid 1,4-dithia-spiro[4.6]undec-2-ylmethyl ester
| Molecular Formula | C11H19NO2S2 |
|---|---|
| Molecular Weight | 261.09 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.08572 |
| Heavy Atoms | 16 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 40520-29-4 |
|---|---|
| SMILES | C1CCCC2(CC1)SCC(S2)COC(=O)N |
| InChIKey | KFNSWGUVOZGKNC-UHFFFAOYSA-N |
Product Overview
1,4-Dithiaspiro(4.5)undecane-2-methanol, carbamate (CAS 40520-29-4), with molecular formula C11H19NO2S2 and molecular weight 261.09 g/mol. IUPAC: 1,4-dithiaspiro[4.6]undecan-3-ylmethyl carbamate.
Chemical Property Profile of 1,4-Dithiaspiro(4.5)undecane-2-methanol, carbamate
Property Insights of 1,4-Dithiaspiro(4.5)undecane-2-methanol, carbamate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Dithiaspiro(4.5)undecane-2-methanol, carbamate. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Dithiaspiro(4.5)undecane-2-methanol, carbamate. Following Lipinski's Rule of Five, 1,4-Dithiaspiro(4.5)undecane-2-methanol, 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 1,4-Dithiaspiro(4.5)undecane-2-methanol, carbamate?
The CAS number of 1,4-Dithiaspiro(4.5)undecane-2-methanol, carbamate is 40520-29-4.
What is the molecular formula of 1,4-Dithiaspiro(4.5)undecane-2-methanol, carbamate?
The molecular formula of 1,4-Dithiaspiro(4.5)undecane-2-methanol, carbamate is C11H19NO2S2.
What is the molecular weight of 1,4-Dithiaspiro(4.5)undecane-2-methanol, carbamate?
The molecular weight of 1,4-Dithiaspiro(4.5)undecane-2-methanol, carbamate is 261.09 g/mol.
Where can I buy 1,4-Dithiaspiro(4.5)undecane-2-methanol, carbamate?
You can request a quote for 1,4-Dithiaspiro(4.5)undecane-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(4.5)undecane-2-methanol, carbamate?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dithiaspiro(4.5)undecane-2-methanol, carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.