Pentanoic-5,5,5-d3 acid, 2-(propyl-3,3,3-d3)-
TL;DR: Pentanoic-5,5,5-d3 acid, 2-(propyl-3,3,3-d3)- (CAS 87745-18-4) is a chemical compound with molecular formula C8H16O2 and molecular weight 150.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5,5-trideuterio-2-(3,3,3-trideuteriopropyl)pentanoic acid
Also Known As: Valproic Acid-d6, Valproic Acid D6, Depakine-d6, Mylproin-d6, Ergenyl-d6
| Molecular Formula | C8H16O2 |
|---|---|
| Molecular Weight | 150.15 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 150.1527 |
| Heavy Atoms | 10 |
| Complexity | 93.0 |
Chemical Identifiers
| CAS Number | 87745-18-4 |
|---|---|
| SMILES | [2H]C([2H])([2H])CCC(CCC([2H])([2H])[2H])C(=O)O |
| InChIKey | NIJJYAXOARWZEE-WFGJKAKNSA-N |
Product Overview
Pentanoic-5,5,5-d3 acid, 2-(propyl-3,3,3-d3)- (CAS 87745-18-4), with molecular formula C8H16O2 and molecular weight 150.15 g/mol. IUPAC: 5,5,5-trideuterio-2-(3,3,3-trideuteriopropyl)pentanoic acid.
Chemical Property Profile of Pentanoic-5,5,5-d3 acid, 2-(propyl-3,3,3-d3)-
Property Insights of Pentanoic-5,5,5-d3 acid, 2-(propyl-3,3,3-d3)-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentanoic-5,5,5-d3 acid, 2-(propyl-3,3,3-d3)-. With a topological polar surface area (TPSA) of 37.3 Ų, Pentanoic-5,5,5-d3 acid, 2-(propyl-3,3,3-d3)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentanoic-5,5,5-d3 acid, 2-(propyl-3,3,3-d3)- has 1 hydrogen bond donor(s) and 2 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 Pentanoic-5,5,5-d3 acid, 2-(propyl-3,3,3-d3)-?
The CAS number of Pentanoic-5,5,5-d3 acid, 2-(propyl-3,3,3-d3)- is 87745-18-4.
What is the molecular formula of Pentanoic-5,5,5-d3 acid, 2-(propyl-3,3,3-d3)-?
The molecular formula of Pentanoic-5,5,5-d3 acid, 2-(propyl-3,3,3-d3)- is C8H16O2.
What is the molecular weight of Pentanoic-5,5,5-d3 acid, 2-(propyl-3,3,3-d3)-?
The molecular weight of Pentanoic-5,5,5-d3 acid, 2-(propyl-3,3,3-d3)- is 150.15 g/mol.
Where can I buy Pentanoic-5,5,5-d3 acid, 2-(propyl-3,3,3-d3)-?
You can request a quote for Pentanoic-5,5,5-d3 acid, 2-(propyl-3,3,3-d3)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentanoic-5,5,5-d3 acid, 2-(propyl-3,3,3-d3)-?
Yes, KEHONG BIO provides custom synthesis services for Pentanoic-5,5,5-d3 acid, 2-(propyl-3,3,3-d3)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.