1,3-Propanediol, 2-methyl-2-propyl-, bis(isopropylideneiminocarbamate)
TL;DR: 1,3-Propanediol, 2-methyl-2-propyl-, bis(isopropylideneiminocarbamate) (CAS 25652-07-7) is a chemical compound with molecular formula C15H28N4O4 and molecular weight 328.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-methyl-2-[(propan-2-ylideneamino)carbamoyloxymethyl]pentyl] N-(propan-2-ylideneamino)carbamate
Also Known As: Glucosone, Arabino-hexosulose, D-Arabino-2-hexosulose, Bis 2-methyl-2-propyltrimethyleneester, 1,3-Propanediol, 2-methyl-2-propyl-, bis(isopropylideneiminocarbamate)
| Molecular Formula | C15H28N4O4 |
|---|---|
| Molecular Weight | 328.21 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 328.21106 |
| Heavy Atoms | 23 |
| Complexity | 416.0 |
Chemical Identifiers
| CAS Number | 25652-07-7 |
|---|---|
| SMILES | CCCC(C)(COC(=O)NN=C(C)C)COC(=O)NN=C(C)C |
| InChIKey | WLSWIPXQPOWVGX-UHFFFAOYSA-N |
Product Overview
1,3-Propanediol, 2-methyl-2-propyl-, bis(isopropylideneiminocarbamate) (CAS 25652-07-7), with molecular formula C15H28N4O4 and molecular weight 328.21 g/mol. IUPAC: [2-methyl-2-[(propan-2-ylideneamino)carbamoyloxymethyl]pentyl] N-(propan-2-ylideneamino)carbamate.
Chemical Property Profile of 1,3-Propanediol, 2-methyl-2-propyl-, bis(isopropylideneiminocarbamate)
Property Insights of 1,3-Propanediol, 2-methyl-2-propyl-, bis(isopropylideneiminocarbamate)
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediol, 2-methyl-2-propyl-, bis(isopropylideneiminocarbamate). The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Propanediol, 2-methyl-2-propyl-, bis(isopropylideneiminocarbamate). Following Lipinski's Rule of Five, 1,3-Propanediol, 2-methyl-2-propyl-, bis(isopropylideneiminocarbamate) has 2 hydrogen bond donor(s) and 6 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-methyl-2-propyl-, bis(isopropylideneiminocarbamate)?
The CAS number of 1,3-Propanediol, 2-methyl-2-propyl-, bis(isopropylideneiminocarbamate) is 25652-07-7.
What is the molecular formula of 1,3-Propanediol, 2-methyl-2-propyl-, bis(isopropylideneiminocarbamate)?
The molecular formula of 1,3-Propanediol, 2-methyl-2-propyl-, bis(isopropylideneiminocarbamate) is C15H28N4O4.
What is the molecular weight of 1,3-Propanediol, 2-methyl-2-propyl-, bis(isopropylideneiminocarbamate)?
The molecular weight of 1,3-Propanediol, 2-methyl-2-propyl-, bis(isopropylideneiminocarbamate) is 328.21 g/mol.
Where can I buy 1,3-Propanediol, 2-methyl-2-propyl-, bis(isopropylideneiminocarbamate)?
You can request a quote for 1,3-Propanediol, 2-methyl-2-propyl-, bis(isopropylideneiminocarbamate) 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-methyl-2-propyl-, bis(isopropylideneiminocarbamate)?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2-methyl-2-propyl-, bis(isopropylideneiminocarbamate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.