1-(1H-Pyrrol-1-ylmethyl)-1H-benzotriazole
TL;DR: 1-(1H-Pyrrol-1-ylmethyl)-1H-benzotriazole (CAS 124337-35-5) is a chemical compound with molecular formula C11H10N4 and molecular weight 198.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(pyrrol-1-ylmethyl)benzotriazole
Also Known As: 1-(pyrrol-1-ylmethyl)benzotriazole, 1-(1H-Pyrrol-1-ylmethyl)-1H-1,2,3-benzotriazole, 1-(1H-Pyrrol-1-ylmethyl)-1H-benzotriazole, 1-[(1H-Pyrrol-1-yl)methyl]-1H-benzotriazole, 1-[(1H-pyrrol-1-yl)methyl]-1H-1,2,3-benzotriazole
| Molecular Formula | C11H10N4 |
|---|---|
| Molecular Weight | 198.09 g/mol |
| LogP | 1.7386 |
| Topological Polar Surface Area | 35.64 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.09055 |
| Heavy Atoms | 15 |
| Complexity | 565.0701 |
Chemical Identifiers
| CAS Number | 124337-35-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=NN2CN3C=CC=C3 |
Product Overview
1-(1H-Pyrrol-1-ylmethyl)-1H-benzotriazole (CAS 124337-35-5), with molecular formula C11H10N4 and molecular weight 198.09 g/mol. IUPAC: 1-(pyrrol-1-ylmethyl)benzotriazole.
Chemical Property Profile of 1-(1H-Pyrrol-1-ylmethyl)-1H-benzotriazole
Property Insights of 1-(1H-Pyrrol-1-ylmethyl)-1H-benzotriazole
The XLogP value of 1.7386 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1H-Pyrrol-1-ylmethyl)-1H-benzotriazole. With a topological polar surface area (TPSA) of 35.64 Ų, 1-(1H-Pyrrol-1-ylmethyl)-1H-benzotriazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1H-Pyrrol-1-ylmethyl)-1H-benzotriazole 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 1-(1H-Pyrrol-1-ylmethyl)-1H-benzotriazole?
The CAS number of 1-(1H-Pyrrol-1-ylmethyl)-1H-benzotriazole is 124337-35-5.
What is the molecular formula of 1-(1H-Pyrrol-1-ylmethyl)-1H-benzotriazole?
The molecular formula of 1-(1H-Pyrrol-1-ylmethyl)-1H-benzotriazole is C11H10N4.
What is the molecular weight of 1-(1H-Pyrrol-1-ylmethyl)-1H-benzotriazole?
The molecular weight of 1-(1H-Pyrrol-1-ylmethyl)-1H-benzotriazole is 198.09 g/mol.
Where can I buy 1-(1H-Pyrrol-1-ylmethyl)-1H-benzotriazole?
You can request a quote for 1-(1H-Pyrrol-1-ylmethyl)-1H-benzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1H-Pyrrol-1-ylmethyl)-1H-benzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(1H-Pyrrol-1-ylmethyl)-1H-benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.