1,3-Propanediol, 2-sec-butyl-, dicarbamate
TL;DR: 1,3-Propanediol, 2-sec-butyl-, dicarbamate (CAS 25451-13-2) is a chemical compound with molecular formula C9H18N2O4 and molecular weight 218.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(carbamoyloxymethyl)-3-methylpentyl] carbamate
Also Known As: 2-sec-Butyl-1,3-propanediol dicarbamate, KST-1B2397, 1,3-Propanediol, 2-sec-butyl-, dicarbamate, 1,3-propanediol, 2-(1-methylpropyl)-, dicarbamate, [2-(carbamoyloxymethyl)-3-methylpentyl] carbamate
| Molecular Formula | C9H18N2O4 |
|---|---|
| Molecular Weight | 218.13 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 218.12666 |
| Heavy Atoms | 15 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 25451-13-2 |
|---|---|
| SMILES | CCC(C)C(COC(=O)N)COC(=O)N |
| InChIKey | IHXNRXNBUPOFAS-UHFFFAOYSA-N |
Product Overview
1,3-Propanediol, 2-sec-butyl-, dicarbamate (CAS 25451-13-2), with molecular formula C9H18N2O4 and molecular weight 218.13 g/mol. IUPAC: [2-(carbamoyloxymethyl)-3-methylpentyl] carbamate.
Chemical Property Profile of 1,3-Propanediol, 2-sec-butyl-, dicarbamate
Property Insights of 1,3-Propanediol, 2-sec-butyl-, dicarbamate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediol, 2-sec-butyl-, dicarbamate. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Propanediol, 2-sec-butyl-, dicarbamate. Following Lipinski's Rule of Five, 1,3-Propanediol, 2-sec-butyl-, dicarbamate has 2 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-Propanediol, 2-sec-butyl-, dicarbamate?
The CAS number of 1,3-Propanediol, 2-sec-butyl-, dicarbamate is 25451-13-2.
What is the molecular formula of 1,3-Propanediol, 2-sec-butyl-, dicarbamate?
The molecular formula of 1,3-Propanediol, 2-sec-butyl-, dicarbamate is C9H18N2O4.
What is the molecular weight of 1,3-Propanediol, 2-sec-butyl-, dicarbamate?
The molecular weight of 1,3-Propanediol, 2-sec-butyl-, dicarbamate is 218.13 g/mol.
Where can I buy 1,3-Propanediol, 2-sec-butyl-, dicarbamate?
You can request a quote for 1,3-Propanediol, 2-sec-butyl-, dicarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Propanediol, 2-sec-butyl-, dicarbamate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2-sec-butyl-, dicarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.