BRN 0902557
TL;DR: BRN 0902557 (CAS 30957-61-0) is a chemical compound with molecular formula C23H27N5O3 and molecular weight 421.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]benzoate
Also Known As: p-((3-Methyl-5-oxo-1-phenyl-2-pyrazolin-4-yl)azo)benzoic acid 2-(diethylamino)ethyl ester, Benzoic acid, p-((3-methyl-5-oxo-1-phenyl-2-pyrazolin-4-yl)azo)-, 2-(diethylamino)ethyl ester, 2-(Diethylamino)ethyl=4-[(3-methyl-5-oxo-1-phenyl-2-pyrazolin-4-yl)azo]benzoate, 2-diethylaminoethyl 4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]benzoate, 2-(diethylamino)ethyl 4-[2-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)diazen-1-yl]benzoate
| Molecular Formula | C23H27N5O3 |
|---|---|
| Molecular Weight | 421.21 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 86.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 421.2114 |
| Heavy Atoms | 31 |
| Complexity | 662.0 |
Chemical Identifiers
| CAS Number | 30957-61-0 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C1=CC=C(C=C1)N=NC2C(=NN(C2=O)C3=CC=CC=C3)C |
| InChIKey | VQNFPDIMAQDQNF-UHFFFAOYSA-N |
Product Overview
BRN 0902557 (CAS 30957-61-0), with molecular formula C23H27N5O3 and molecular weight 421.21 g/mol. IUPAC: 2-(diethylamino)ethyl 4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]benzoate.
Chemical Property Profile of BRN 0902557
Property Insights of BRN 0902557
The XLogP value of 3.9 indicates that BRN 0902557 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.9 Ų falls within the moderate polarity range, balancing permeability and solubility for BRN 0902557. Following Lipinski's Rule of Five, BRN 0902557 has 0 hydrogen bond donor(s) and 7 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 BRN 0902557?
The CAS number of BRN 0902557 is 30957-61-0.
What is the molecular formula of BRN 0902557?
The molecular formula of BRN 0902557 is C23H27N5O3.
What is the molecular weight of BRN 0902557?
The molecular weight of BRN 0902557 is 421.21 g/mol.
Where can I buy BRN 0902557?
You can request a quote for BRN 0902557 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRN 0902557?
Yes, KEHONG BIO provides custom synthesis services for BRN 0902557 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.