Pentane, 3-iodo-2-methyl
TL;DR: Pentane, 3-iodo-2-methyl (CAS 31294-97-0) is a chemical compound with molecular formula C6H13I and molecular weight 212.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-iodo-2-methylpentane
Also Known As: Pentane, 3-iodo-2-methyl, 3-iodo-2-methylpentane, N,N'-Bis(1-naphthyl)suberamide
| Molecular Formula | C6H13I |
|---|---|
| Molecular Weight | 212.01 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.0062 |
| Heavy Atoms | 7 |
| Complexity | 41.0 |
Chemical Identifiers
| CAS Number | 31294-97-0 |
|---|---|
| SMILES | CCC(C(C)C)I |
| InChIKey | AEKOVZFTJZYZRS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentane, 3-iodo-2-methyl (CAS 31294-97-0), with molecular formula C6H13I and molecular weight 212.01 g/mol. IUPAC: 3-iodo-2-methylpentane.
Chemical Property Profile of Pentane, 3-iodo-2-methyl
Property Insights of Pentane, 3-iodo-2-methyl
The XLogP value of 3.6 indicates that Pentane, 3-iodo-2-methyl 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, 3-iodo-2-methyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentane, 3-iodo-2-methyl 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, 3-iodo-2-methyl?
The CAS number of Pentane, 3-iodo-2-methyl is 31294-97-0.
What is the molecular formula of Pentane, 3-iodo-2-methyl?
The molecular formula of Pentane, 3-iodo-2-methyl is C6H13I.
What is the molecular weight of Pentane, 3-iodo-2-methyl?
The molecular weight of Pentane, 3-iodo-2-methyl is 212.01 g/mol.
Where can I buy Pentane, 3-iodo-2-methyl?
You can request a quote for Pentane, 3-iodo-2-methyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentane, 3-iodo-2-methyl?
Yes, KEHONG BIO provides custom synthesis services for Pentane, 3-iodo-2-methyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.