Methyl-6-isocyanohexanoate
TL;DR: Methyl-6-isocyanohexanoate (CAS 72135-03-6) is a chemical compound with molecular formula C8H13NO2 and molecular weight 155.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-isocyanohexanoate
Also Known As: Methyl 6-isocyanohexanoate, METHYL-6-ISOCYANOHEXANOATE
| Molecular Formula | C8H13NO2 |
|---|---|
| Molecular Weight | 155.09 g/mol |
| LogP | 1.63909 |
| Topological Polar Surface Area | 30.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 155.09464 |
| Heavy Atoms | 11 |
| Complexity | 148.66127 |
Chemical Identifiers
| CAS Number | 72135-03-6 |
|---|---|
| SMILES | COC(=O)CCCCC[N+]#[C-] |
Product Overview
Methyl-6-isocyanohexanoate (CAS 72135-03-6), with molecular formula C8H13NO2 and molecular weight 155.09 g/mol. IUPAC: methyl 6-isocyanohexanoate.
Chemical Property Profile of Methyl-6-isocyanohexanoate
Property Insights of Methyl-6-isocyanohexanoate
The XLogP value of 1.63909 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl-6-isocyanohexanoate. With a topological polar surface area (TPSA) of 30.66 Ų, Methyl-6-isocyanohexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl-6-isocyanohexanoate 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 Methyl-6-isocyanohexanoate?
The CAS number of Methyl-6-isocyanohexanoate is 72135-03-6.
What is the molecular formula of Methyl-6-isocyanohexanoate?
The molecular formula of Methyl-6-isocyanohexanoate is C8H13NO2.
What is the molecular weight of Methyl-6-isocyanohexanoate?
The molecular weight of Methyl-6-isocyanohexanoate is 155.09 g/mol.
Where can I buy Methyl-6-isocyanohexanoate?
You can request a quote for Methyl-6-isocyanohexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl-6-isocyanohexanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl-6-isocyanohexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.