Methyl 1-isopropyl-1,2,3-benzotriazole-5-carboxylate
TL;DR: Methyl 1-isopropyl-1,2,3-benzotriazole-5-carboxylate (CAS 874781-97-2) is a chemical compound with molecular formula C11H13N3O2 and molecular weight 219.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-propan-2-ylbenzotriazole-5-carboxylate
Also Known As: Methyl 1-isopropyl-1,2,3-benzotriazole-5-carboxylate, Maybridge3_004120, methyl 1-propan-2-ylbenzotriazole-5-carboxylate, IDI1_015507, methyl 1-isopropylbenzotriazole-5-carboxylate
| Molecular Formula | C11H13N3O2 |
|---|---|
| Molecular Weight | 219.10 g/mol |
| LogP | 1.7988 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.10077 |
| Heavy Atoms | 16 |
| Complexity | 531.0092 |
Chemical Identifiers
| CAS Number | 874781-97-2 |
|---|---|
| SMILES | CC(C)N1C2=C(C=C(C=C2)C(=O)OC)N=N1 |
Product Overview
Methyl 1-isopropyl-1,2,3-benzotriazole-5-carboxylate (CAS 874781-97-2), with molecular formula C11H13N3O2 and molecular weight 219.10 g/mol. IUPAC: methyl 1-propan-2-ylbenzotriazole-5-carboxylate.
Chemical Property Profile of Methyl 1-isopropyl-1,2,3-benzotriazole-5-carboxylate
Property Insights of Methyl 1-isopropyl-1,2,3-benzotriazole-5-carboxylate
The XLogP value of 1.7988 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1-isopropyl-1,2,3-benzotriazole-5-carboxylate. With a topological polar surface area (TPSA) of 57.01 Ų, Methyl 1-isopropyl-1,2,3-benzotriazole-5-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 1-isopropyl-1,2,3-benzotriazole-5-carboxylate 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 1-isopropyl-1,2,3-benzotriazole-5-carboxylate?
The CAS number of Methyl 1-isopropyl-1,2,3-benzotriazole-5-carboxylate is 874781-97-2.
What is the molecular formula of Methyl 1-isopropyl-1,2,3-benzotriazole-5-carboxylate?
The molecular formula of Methyl 1-isopropyl-1,2,3-benzotriazole-5-carboxylate is C11H13N3O2.
What is the molecular weight of Methyl 1-isopropyl-1,2,3-benzotriazole-5-carboxylate?
The molecular weight of Methyl 1-isopropyl-1,2,3-benzotriazole-5-carboxylate is 219.10 g/mol.
Where can I buy Methyl 1-isopropyl-1,2,3-benzotriazole-5-carboxylate?
You can request a quote for Methyl 1-isopropyl-1,2,3-benzotriazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 1-isopropyl-1,2,3-benzotriazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1-isopropyl-1,2,3-benzotriazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.