Heptane-1-d3
TL;DR: Heptane-1-d3 (CAS 42903-71-9) is a chemical compound with molecular formula C7H16 and molecular weight 103.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-trideuterioheptane
Also Known As: Heptane-1-d3, HEPTANE, 1,1,1-trideuterioheptane, Heptane-1,1,1-d3(9CI), N-HEPTANE-1,1,1-D3
| Molecular Formula | C7H16 |
|---|---|
| Molecular Weight | 103.14 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 4 |
| Exact Mass | 103.14403 |
| Heavy Atoms | 7 |
| Complexity | 19.0 |
Chemical Identifiers
| CAS Number | 42903-71-9 |
|---|---|
| SMILES | [2H]C([2H])([2H])CCCCCC |
| InChIKey | IMNFDUFMRHMDMM-FIBGUPNXSA-N |
Product Overview
Heptane-1-d3 (CAS 42903-71-9), with molecular formula C7H16 and molecular weight 103.14 g/mol. IUPAC: 1,1,1-trideuterioheptane.
Chemical Property Profile of Heptane-1-d3
Property Insights of Heptane-1-d3
The XLogP value of 4.4 indicates that Heptane-1-d3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Heptane-1-d3 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptane-1-d3 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 Heptane-1-d3?
The CAS number of Heptane-1-d3 is 42903-71-9.
What is the molecular formula of Heptane-1-d3?
The molecular formula of Heptane-1-d3 is C7H16.
What is the molecular weight of Heptane-1-d3?
The molecular weight of Heptane-1-d3 is 103.14 g/mol.
Where can I buy Heptane-1-d3?
You can request a quote for Heptane-1-d3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptane-1-d3?
Yes, KEHONG BIO provides custom synthesis services for Heptane-1-d3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.