Methyl 3-isocyanato-2-methylbenzoate
TL;DR: Methyl 3-isocyanato-2-methylbenzoate (CAS 480439-28-9) is a chemical compound with molecular formula C10H9NO3 and molecular weight 191.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-isocyanato-2-methylbenzoate
Also Known As: Methyl 3-isocyanato-2-methylbenzoate, 3-morpholin-4-ylquinoxaline-2-ylamine, Methyl 3-isocyanato-2-methyl-benzoate, Methyl 3-isocyanato-2-methylbenzoate, 97%, METHYL3-ISOCYANATO-2-METHYLBENZOATE&
| Molecular Formula | C10H9NO3 |
|---|---|
| Molecular Weight | 191.06 g/mol |
| LogP | 1.74892 |
| Topological Polar Surface Area | 55.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 191.05824 |
| Heavy Atoms | 14 |
| Complexity | 405.8282 |
Chemical Identifiers
| CAS Number | 480439-28-9 |
|---|---|
| SMILES | CC1=C(C=CC=C1N=C=O)C(=O)OC |
Product Overview
Methyl 3-isocyanato-2-methylbenzoate (CAS 480439-28-9), with molecular formula C10H9NO3 and molecular weight 191.06 g/mol. IUPAC: methyl 3-isocyanato-2-methylbenzoate.
Chemical Property Profile of Methyl 3-isocyanato-2-methylbenzoate
Property Insights of Methyl 3-isocyanato-2-methylbenzoate
The XLogP value of 1.74892 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-isocyanato-2-methylbenzoate. With a topological polar surface area (TPSA) of 55.73 Ų, Methyl 3-isocyanato-2-methylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-isocyanato-2-methylbenzoate has 0 hydrogen bond donor(s) and 4 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-isocyanato-2-methylbenzoate?
The CAS number of Methyl 3-isocyanato-2-methylbenzoate is 480439-28-9.
What is the molecular formula of Methyl 3-isocyanato-2-methylbenzoate?
The molecular formula of Methyl 3-isocyanato-2-methylbenzoate is C10H9NO3.
What is the molecular weight of Methyl 3-isocyanato-2-methylbenzoate?
The molecular weight of Methyl 3-isocyanato-2-methylbenzoate is 191.06 g/mol.
Where can I buy Methyl 3-isocyanato-2-methylbenzoate?
You can request a quote for Methyl 3-isocyanato-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-isocyanato-2-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-isocyanato-2-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.