AN-979/40826843
TL;DR: AN-979/40826843 (CAS 500261-62-1) is a chemical compound with molecular formula C18H13BrN2O5 and molecular weight 416.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-2-[(2-ethyl-1,3-dioxoisoindole-5-carbonyl)amino]benzoic acid
Also Known As: AN-979/40826843, 5-bromo-2-{[(2-ethyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl]amino}benzoic acid, 5-bromo-2-(2-ethyl-1,3-dioxoisoindoline-5-carboxamido)benzoic acid, 5-bromo-2-[(2-ethyl-1,3-dioxoisoindole-5-carbonyl)amino]benzoic acid, Cambridge id 7360382
| Molecular Formula | C18H13BrN2O5 |
|---|---|
| Molecular Weight | 416.00 g/mol |
| LogP | 3.0155 |
| Topological Polar Surface Area | 103.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 416.0008 |
| Heavy Atoms | 26 |
| Complexity | 970.04895 |
Chemical Identifiers
| CAS Number | 500261-62-1 |
|---|---|
| SMILES | CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=C(C=C(C=C3)Br)C(=O)O |
Product Overview
AN-979/40826843 (CAS 500261-62-1), with molecular formula C18H13BrN2O5 and molecular weight 416.00 g/mol. IUPAC: 5-bromo-2-[(2-ethyl-1,3-dioxoisoindole-5-carbonyl)amino]benzoic acid.
Chemical Property Profile of AN-979/40826843
Property Insights of AN-979/40826843
The XLogP value of 3.0155 indicates that AN-979/40826843 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.78 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-979/40826843. Following Lipinski's Rule of Five, AN-979/40826843 has 2 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 AN-979/40826843?
The CAS number of AN-979/40826843 is 500261-62-1.
What is the molecular formula of AN-979/40826843?
The molecular formula of AN-979/40826843 is C18H13BrN2O5.
What is the molecular weight of AN-979/40826843?
The molecular weight of AN-979/40826843 is 416.00 g/mol.
Where can I buy AN-979/40826843?
You can request a quote for AN-979/40826843 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-979/40826843?
Yes, KEHONG BIO provides custom synthesis services for AN-979/40826843 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.