Heptane-d16
TL;DR: Heptane-d16 (CAS 33838-52-7) is a chemical compound with molecular formula C7H16 and molecular weight 116.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecadeuterioheptane
Also Known As: Heptane-d16, n-heptane-d16, Perdeuteroheptan, n-Heptane-d{16}, HEPTANE
| Molecular Formula | C7H16 |
|---|---|
| Molecular Weight | 116.23 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 | 116.22563 |
| Heavy Atoms | 7 |
| Complexity | 19.0 |
Chemical Identifiers
| CAS Number | 33838-52-7 |
|---|---|
| SMILES | [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H] |
| InChIKey | IMNFDUFMRHMDMM-NEBSKJCTSA-N |
Product Overview
Heptane-d16 (CAS 33838-52-7), with molecular formula C7H16 and molecular weight 116.23 g/mol. IUPAC: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecadeuterioheptane.
Chemical Property Profile of Heptane-d16
Property Insights of Heptane-d16
The XLogP value of 4.4 indicates that Heptane-d16 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-d16 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptane-d16 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-d16?
The CAS number of Heptane-d16 is 33838-52-7.
What is the molecular formula of Heptane-d16?
The molecular formula of Heptane-d16 is C7H16.
What is the molecular weight of Heptane-d16?
The molecular weight of Heptane-d16 is 116.23 g/mol.
Where can I buy Heptane-d16?
You can request a quote for Heptane-d16 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptane-d16?
Yes, KEHONG BIO provides custom synthesis services for Heptane-d16 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.