Pentane-d12
TL;DR: Pentane-d12 (CAS 2031-90-5) is a chemical compound with molecular formula C5H12 and molecular weight 84.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1,2,2,3,3,4,4,5,5,5-dodecadeuteriopentane
Also Known As: Pentane-d12, N-PENTANE-D12, deuterated pentane, Hydrocarbons, C>4, (2H12)Pentane
| Molecular Formula | C5H12 |
|---|---|
| Molecular Weight | 84.17 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 84.16922 |
| Heavy Atoms | 5 |
| Complexity | 7.0 |
Chemical Identifiers
| CAS Number | 2031-90-5 |
|---|---|
| SMILES | [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H] |
| InChIKey | OFBQJSOFQDEBGM-HYVJACIRSA-N |
Product Overview
Pentane-d12 (CAS 2031-90-5), with molecular formula C5H12 and molecular weight 84.17 g/mol. IUPAC: 1,1,1,2,2,3,3,4,4,5,5,5-dodecadeuteriopentane.
Chemical Property Profile of Pentane-d12
Property Insights of Pentane-d12
The XLogP value of 3.4 indicates that Pentane-d12 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Pentane-d12 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentane-d12 has 0 hydrogen bond donor(s) and 0 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 Pentane-d12?
The CAS number of Pentane-d12 is 2031-90-5.
What is the molecular formula of Pentane-d12?
The molecular formula of Pentane-d12 is C5H12.
What is the molecular weight of Pentane-d12?
The molecular weight of Pentane-d12 is 84.17 g/mol.
Where can I buy Pentane-d12?
You can request a quote for Pentane-d12 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentane-d12?
Yes, KEHONG BIO provides custom synthesis services for Pentane-d12 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.