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Methyl N-[1H-1,2,3-benzotriazol-1-yl(phenyl)methyl]carbamate
TL;DR: Methyl N-[1H-1,2,3-benzotriazol-1-yl(phenyl)methyl]carbamate (CAS 149681-90-3) is a chemical compound with molecular formula C15H14N4O2 and molecular weight 282.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[benzotriazol-1-yl(phenyl)methyl]carbamate
Also Known As: starbld0021552, Methyl N-[1H-1,2,3-benzotriazol-1-yl(phenyl)methyl]carbamate, methyl N-[benzotriazol-1-yl(phenyl)methyl]carbamate, J2.940.020B, AE-018/31866004
| Molecular Formula | C15H14N4O2 |
|---|---|
| Molecular Weight | 282.11 g/mol |
| LogP | 2.3342 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 282.11166 |
| Heavy Atoms | 21 |
| Complexity | 754.4693 |
Chemical Identifiers
| CAS Number | 149681-90-3 |
|---|---|
| SMILES | COC(=O)NC(C1=CC=CC=C1)N2C3=CC=CC=C3N=N2 |
Product Overview
Methyl N-[1H-1,2,3-benzotriazol-1-yl(phenyl)methyl]carbamate (CAS 149681-90-3), with molecular formula C15H14N4O2 and molecular weight 282.11 g/mol. IUPAC: methyl N-[benzotriazol-1-yl(phenyl)methyl]carbamate.
Chemical Property Profile of Methyl N-[1H-1,2,3-benzotriazol-1-yl(phenyl)methyl]carbamate
Property Insights of Methyl N-[1H-1,2,3-benzotriazol-1-yl(phenyl)methyl]carbamate
The XLogP value of 2.3342 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl N-[1H-1,2,3-benzotriazol-1-yl(phenyl)methyl]carbamate. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl N-[1H-1,2,3-benzotriazol-1-yl(phenyl)methyl]carbamate. Following Lipinski's Rule of Five, Methyl N-[1H-1,2,3-benzotriazol-1-yl(phenyl)methyl]carbamate has 1 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 N-[1H-1,2,3-benzotriazol-1-yl(phenyl)methyl]carbamate?
The CAS number of Methyl N-[1H-1,2,3-benzotriazol-1-yl(phenyl)methyl]carbamate is 149681-90-3.
What is the molecular formula of Methyl N-[1H-1,2,3-benzotriazol-1-yl(phenyl)methyl]carbamate?
The molecular formula of Methyl N-[1H-1,2,3-benzotriazol-1-yl(phenyl)methyl]carbamate is C15H14N4O2.
What is the molecular weight of Methyl N-[1H-1,2,3-benzotriazol-1-yl(phenyl)methyl]carbamate?
The molecular weight of Methyl N-[1H-1,2,3-benzotriazol-1-yl(phenyl)methyl]carbamate is 282.11 g/mol.
Where can I buy Methyl N-[1H-1,2,3-benzotriazol-1-yl(phenyl)methyl]carbamate?
You can request a quote for Methyl N-[1H-1,2,3-benzotriazol-1-yl(phenyl)methyl]carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl N-[1H-1,2,3-benzotriazol-1-yl(phenyl)methyl]carbamate?
Yes, KEHONG BIO provides custom synthesis services for Methyl N-[1H-1,2,3-benzotriazol-1-yl(phenyl)methyl]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.