A3582/0152031
TL;DR: A3582/0152031 (CAS 593271-77-3) is a chemical compound with molecular formula C21H14BrN3O5 and molecular weight 467.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[(Z)-[1-(3-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]indol-1-yl]acetic acid
Also Known As: A3582/0152031, (3-{(Z)-[1-(3-bromophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-indol-1-yl)acetic acid, (Z)-2-(3-((1-(3-bromophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-1H-indol-1-yl)acetic acid, (3-{(Z)-[1-(3-bromophenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}-1H-indol-1-yl)acetic acid, 2-(3-{[1-(3-BROMOPHENYL)-2,4,6-TRIOXOTETRAHYDRO-5(2H)-PYRIMIDINYLIDEN]METHYL}-1H-INDOL-1-YL)ACETIC ACID
| Molecular Formula | C21H14BrN3O5 |
|---|---|
| Molecular Weight | 467.01 g/mol |
| LogP | 3.1548 |
| Topological Polar Surface Area | 108.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 467.0117 |
| Heavy Atoms | 30 |
| Complexity | 1260.5153 |
Chemical Identifiers
| CAS Number | 593271-77-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2CC(=O)O)/C=C\3/C(=O)NC(=O)N(C3=O)C4=CC(=CC=C4)Br |
Product Overview
A3582/0152031 (CAS 593271-77-3), with molecular formula C21H14BrN3O5 and molecular weight 467.01 g/mol. IUPAC: 2-[3-[(Z)-[1-(3-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]indol-1-yl]acetic acid.
Chemical Property Profile of A3582/0152031
Property Insights of A3582/0152031
The XLogP value of 3.1548 indicates that A3582/0152031 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.71 Ų falls within the moderate polarity range, balancing permeability and solubility for A3582/0152031. Following Lipinski's Rule of Five, A3582/0152031 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 A3582/0152031?
The CAS number of A3582/0152031 is 593271-77-3.
What is the molecular formula of A3582/0152031?
The molecular formula of A3582/0152031 is C21H14BrN3O5.
What is the molecular weight of A3582/0152031?
The molecular weight of A3582/0152031 is 467.01 g/mol.
Where can I buy A3582/0152031?
You can request a quote for A3582/0152031 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3582/0152031?
Yes, KEHONG BIO provides custom synthesis services for A3582/0152031 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.