PBTA 2 (pollutant)
TL;DR: PBTA 2 (pollutant) (CAS 215245-16-2) is a chemical compound with molecular formula C20H21BrClN7O2 and molecular weight 505.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(5-amino-7-bromo-4-chlorobenzotriazol-2-yl)-5-[2-cyanoethyl(ethyl)amino]-4-methoxyphenyl]acetamide
Also Known As: PBTA 2 (pollutant), PBTA 2, J1.020.577H, 2-(2-(Acetylamino)-4-(N-(2-cyanoethyl)ethylamino)-5-methoxyphenyl)-5-amino-7-bromo-4-chloro-2H-benzotriazole, N-[2-(5-amino-7-bromo-4-chlorobenzotriazol-2-yl)-5-[2-cyanoe
| Molecular Formula | C20H21BrClN7O2 |
|---|---|
| Molecular Weight | 505.06 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 505.06287 |
| Heavy Atoms | 31 |
| Complexity | 679.0 |
Chemical Identifiers
| CAS Number | 215245-16-2 |
|---|---|
| SMILES | CCN(CCC#N)C1=C(C=C(C(=C1)NC(=O)C)N2N=C3C(=CC(=C(C3=N2)Cl)N)Br)OC |
| InChIKey | CVBXOARNTJWWLQ-UHFFFAOYSA-N |
Product Overview
PBTA 2 (pollutant) (CAS 215245-16-2), with molecular formula C20H21BrClN7O2 and molecular weight 505.06 g/mol. IUPAC: N-[2-(5-amino-7-bromo-4-chlorobenzotriazol-2-yl)-5-[2-cyanoethyl(ethyl)amino]-4-methoxyphenyl]acetamide.
Chemical Property Profile of PBTA 2 (pollutant)
Property Insights of PBTA 2 (pollutant)
The XLogP value of 3.3 indicates that PBTA 2 (pollutant) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for PBTA 2 (pollutant). Following Lipinski's Rule of Five, PBTA 2 (pollutant) has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of PBTA 2 (pollutant)?
The CAS number of PBTA 2 (pollutant) is 215245-16-2.
What is the molecular formula of PBTA 2 (pollutant)?
The molecular formula of PBTA 2 (pollutant) is C20H21BrClN7O2.
What is the molecular weight of PBTA 2 (pollutant)?
The molecular weight of PBTA 2 (pollutant) is 505.06 g/mol.
Where can I buy PBTA 2 (pollutant)?
You can request a quote for PBTA 2 (pollutant) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PBTA 2 (pollutant)?
Yes, KEHONG BIO provides custom synthesis services for PBTA 2 (pollutant) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.