Methyl-3-isocyano-2-methylbenzoate
TL;DR: Methyl-3-isocyano-2-methylbenzoate (CAS 730971-38-7) is a chemical compound with molecular formula C10H9NO2 and molecular weight 175.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-isocyano-2-methylbenzoate
Also Known As: Not Available, Methyl-3-isocyano-2-methylbenzoate, methyl 3-isocyano-2-methylbenzoate, Methyl 3-isocyano-2-methyl-benzoate, (4-tert-Butyl-phenyl)-phenyl-amine
| Molecular Formula | C10H9NO2 |
|---|---|
| Molecular Weight | 175.06 g/mol |
| LogP | 2.33241 |
| Topological Polar Surface Area | 30.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 175.06332 |
| Heavy Atoms | 13 |
| Complexity | 377.0014 |
Chemical Identifiers
| CAS Number | 730971-38-7 |
|---|---|
| SMILES | CC1=C(C=CC=C1[N+]#[C-])C(=O)OC |
Product Overview
Methyl-3-isocyano-2-methylbenzoate (CAS 730971-38-7), with molecular formula C10H9NO2 and molecular weight 175.06 g/mol. IUPAC: methyl 3-isocyano-2-methylbenzoate.
Chemical Property Profile of Methyl-3-isocyano-2-methylbenzoate
Property Insights of Methyl-3-isocyano-2-methylbenzoate
The XLogP value of 2.33241 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl-3-isocyano-2-methylbenzoate. With a topological polar surface area (TPSA) of 30.66 Ų, Methyl-3-isocyano-2-methylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl-3-isocyano-2-methylbenzoate 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-3-isocyano-2-methylbenzoate?
The CAS number of Methyl-3-isocyano-2-methylbenzoate is 730971-38-7.
What is the molecular formula of Methyl-3-isocyano-2-methylbenzoate?
The molecular formula of Methyl-3-isocyano-2-methylbenzoate is C10H9NO2.
What is the molecular weight of Methyl-3-isocyano-2-methylbenzoate?
The molecular weight of Methyl-3-isocyano-2-methylbenzoate is 175.06 g/mol.
Where can I buy Methyl-3-isocyano-2-methylbenzoate?
You can request a quote for Methyl-3-isocyano-2-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl-3-isocyano-2-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl-3-isocyano-2-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.