![N-[[(5-bromo-2-oxo-indol-3-yl)amino]carbamoylmethyl]benzo[1,3]dioxole-5-carboxamide structure](/static/products/372/372502-14-2.png)
N-[[(5-bromo-2-oxo-indol-3-yl)amino]carbamoylmethyl]benzo[1,3]dioxole-5-carboxamide
TL;DR: N-[[(5-bromo-2-oxo-indol-3-yl)amino]carbamoylmethyl]benzo[1,3]dioxole-5-carboxamide (CAS 372502-14-2) is a chemical compound with molecular formula C18H13BrN4O5 and molecular weight 444.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
Also Known As: N-[[(5-bromo-2-oxo-indol-3-yl)amino]carbamoylmethyl]benzo[1,3]dioxole-5-carboxamide, N-[2-[2-(5-bromo-2-oxoindol-3-yl)hydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide, (Z)-N-(2-(2-(5-bromo-2-oxoindolin-3-ylidene)hydrazinyl)-2-oxoethyl)benzo[d][1,3]dioxole-5-carboxamide, N-{2-[(2Z)-2-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinyl]-2-oxoethyl}-1,3-benzodioxole-5-carboxamide (non-preferred name)
| Molecular Formula | C18H13BrN4O5 |
|---|---|
| Molecular Weight | 444.01 g/mol |
| LogP | 3.405 |
| Topological Polar Surface Area | 125.37 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 444.00693 |
| Heavy Atoms | 28 |
| Complexity | 1124.6066 |
Chemical Identifiers
| CAS Number | 372502-14-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(=O)NCC(=O)N=NC3=C(NC4=C3C=C(C=C4)Br)O |
Product Overview
N-[[(5-bromo-2-oxo-indol-3-yl)amino]carbamoylmethyl]benzo[1,3]dioxole-5-carboxamide (CAS 372502-14-2), with molecular formula C18H13BrN4O5 and molecular weight 444.01 g/mol. IUPAC: N-[2-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide.
Chemical Property Profile of N-[[(5-bromo-2-oxo-indol-3-yl)amino]carbamoylmethyl]benzo[1,3]dioxole-5-carboxamide
Property Insights of N-[[(5-bromo-2-oxo-indol-3-yl)amino]carbamoylmethyl]benzo[1,3]dioxole-5-carboxamide
The XLogP value of 3.405 indicates that N-[[(5-bromo-2-oxo-indol-3-yl)amino]carbamoylmethyl]benzo[1,3]dioxole-5-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.37 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[[(5-bromo-2-oxo-indol-3-yl)amino]carbamoylmethyl]benzo[1,3]dioxole-5-carboxamide. Following Lipinski's Rule of Five, N-[[(5-bromo-2-oxo-indol-3-yl)amino]carbamoylmethyl]benzo[1,3]dioxole-5-carboxamide has 3 hydrogen bond donor(s) and 6 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 N-[[(5-bromo-2-oxo-indol-3-yl)amino]carbamoylmethyl]benzo[1,3]dioxole-5-carboxamide?
The CAS number of N-[[(5-bromo-2-oxo-indol-3-yl)amino]carbamoylmethyl]benzo[1,3]dioxole-5-carboxamide is 372502-14-2.
What is the molecular formula of N-[[(5-bromo-2-oxo-indol-3-yl)amino]carbamoylmethyl]benzo[1,3]dioxole-5-carboxamide?
The molecular formula of N-[[(5-bromo-2-oxo-indol-3-yl)amino]carbamoylmethyl]benzo[1,3]dioxole-5-carboxamide is C18H13BrN4O5.
What is the molecular weight of N-[[(5-bromo-2-oxo-indol-3-yl)amino]carbamoylmethyl]benzo[1,3]dioxole-5-carboxamide?
The molecular weight of N-[[(5-bromo-2-oxo-indol-3-yl)amino]carbamoylmethyl]benzo[1,3]dioxole-5-carboxamide is 444.01 g/mol.
Where can I buy N-[[(5-bromo-2-oxo-indol-3-yl)amino]carbamoylmethyl]benzo[1,3]dioxole-5-carboxamide?
You can request a quote for N-[[(5-bromo-2-oxo-indol-3-yl)amino]carbamoylmethyl]benzo[1,3]dioxole-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[[(5-bromo-2-oxo-indol-3-yl)amino]carbamoylmethyl]benzo[1,3]dioxole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[(5-bromo-2-oxo-indol-3-yl)amino]carbamoylmethyl]benzo[1,3]dioxole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.