(2R)-2-Isothiocyanatoheptane
TL;DR: (2R)-2-Isothiocyanatoheptane (CAS 737000-93-0) is a chemical compound with molecular formula C8H15NS and molecular weight 157.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-isothiocyanatoheptane
Also Known As: (R)-(-)-2-Heptyl isothiocyanate, (2R)-2-ISOTHIOCYANATOHEPTANE, (R)-2-Isothiocyanatoheptane, (R)-(-)-2-HEPTYLISOTHIOCYANATE, RefChem:206639
| Molecular Formula | C8H15NS |
|---|---|
| Molecular Weight | 157.09 g/mol |
| LogP | 3.058 |
| Topological Polar Surface Area | 12.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 157.09251 |
| Heavy Atoms | 10 |
| Complexity | 116.426 |
Chemical Identifiers
| CAS Number | 737000-93-0 |
|---|---|
| SMILES | CCCCC[C@@H](C)N=C=S |
Product Overview
(2R)-2-Isothiocyanatoheptane (CAS 737000-93-0), with molecular formula C8H15NS and molecular weight 157.09 g/mol. IUPAC: (2R)-2-isothiocyanatoheptane.
Chemical Property Profile of (2R)-2-Isothiocyanatoheptane
Property Insights of (2R)-2-Isothiocyanatoheptane
The XLogP value of 3.058 indicates that (2R)-2-Isothiocyanatoheptane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.36 Ų, (2R)-2-Isothiocyanatoheptane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2R)-2-Isothiocyanatoheptane has 0 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 (2R)-2-Isothiocyanatoheptane?
The CAS number of (2R)-2-Isothiocyanatoheptane is 737000-93-0.
What is the molecular formula of (2R)-2-Isothiocyanatoheptane?
The molecular formula of (2R)-2-Isothiocyanatoheptane is C8H15NS.
What is the molecular weight of (2R)-2-Isothiocyanatoheptane?
The molecular weight of (2R)-2-Isothiocyanatoheptane is 157.09 g/mol.
Where can I buy (2R)-2-Isothiocyanatoheptane?
You can request a quote for (2R)-2-Isothiocyanatoheptane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2R)-2-Isothiocyanatoheptane?
Yes, KEHONG BIO provides custom synthesis services for (2R)-2-Isothiocyanatoheptane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.