EINECS 280-892-8
TL;DR: EINECS 280-892-8 (CAS 83803-74-1) is a chemical compound with molecular formula C14H20ClN5O2 and molecular weight 325.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]-2H-benzotriazole-5-carboxamide;hydrochloride
Also Known As: EINECS 280-892-8, 5-Methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]-1H-1,2,3-benzotriazole-6-carboximidic acid--hydrogen chloride (1/1), 5-Methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]-1H-benzotriazole-6-carboximidic acid--hydrogen chloride (1/1), 6-Methoxy-N-((1-methylpyrrolidin-2-yl)methyl)1H-benzotriazole-5-carboxamide monohydrochloride
| Molecular Formula | C14H20ClN5O2 |
|---|---|
| Molecular Weight | 325.13 g/mol |
| LogP | 1.2123 |
| Topological Polar Surface Area | 83.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 325.13055 |
| Heavy Atoms | 22 |
| Complexity | 659.72064 |
Chemical Identifiers
| CAS Number | 83803-74-1 |
|---|---|
| SMILES | CN1CCCC1CNC(=O)C2=CC3=NNN=C3C=C2OC.Cl |
Product Overview
EINECS 280-892-8 (CAS 83803-74-1), with molecular formula C14H20ClN5O2 and molecular weight 325.13 g/mol. IUPAC: 6-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]-2H-benzotriazole-5-carboxamide;hydrochloride.
Chemical Property Profile of EINECS 280-892-8
Property Insights of EINECS 280-892-8
The XLogP value of 1.2123 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 280-892-8. The TPSA of 83.14 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 280-892-8. Following Lipinski's Rule of Five, EINECS 280-892-8 has 2 hydrogen bond donor(s) and 5 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 EINECS 280-892-8?
The CAS number of EINECS 280-892-8 is 83803-74-1.
What is the molecular formula of EINECS 280-892-8?
The molecular formula of EINECS 280-892-8 is C14H20ClN5O2.
What is the molecular weight of EINECS 280-892-8?
The molecular weight of EINECS 280-892-8 is 325.13 g/mol.
Where can I buy EINECS 280-892-8?
You can request a quote for EINECS 280-892-8 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 280-892-8?
Yes, KEHONG BIO provides custom synthesis services for EINECS 280-892-8 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.