![1-[(6-Bromo-5-methyl-2-oxoindol-3-yl)amino]-3-phenylthiourea structure](/static/products/468/468087-29-8.png)
1-[(6-Bromo-5-methyl-2-oxoindol-3-yl)amino]-3-phenylthiourea
TL;DR: 1-[(6-Bromo-5-methyl-2-oxoindol-3-yl)amino]-3-phenylthiourea (CAS 468087-29-8) is a chemical compound with molecular formula C16H13BrN4OS and molecular weight 388.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(6-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-3-phenylthiourea
Also Known As: 6-bromo-5-methyl-1H-indole-2,3-dione 3-(N-phenylthiosemicarbazone), AN-329/40826175, 1-[(6-bromo-5-methyl-2-oxoindol-3-yl)amino]-3-phenylthiourea, 1-[(6-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-3-phenylthiourea, (2E)-2-(6-bromo-5-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-N-phenylhydrazinecarbothioamide
| Molecular Formula | C16H13BrN4OS |
|---|---|
| Molecular Weight | 388.00 g/mol |
| LogP | 5.42512 |
| Topological Polar Surface Area | 72.77 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 387.99933 |
| Heavy Atoms | 23 |
| Complexity | 905.3343 |
Chemical Identifiers
| CAS Number | 468087-29-8 |
|---|---|
| SMILES | CC1=CC2=C(C=C1Br)NC(=C2N=NC(=S)NC3=CC=CC=C3)O |
Product Overview
1-[(6-Bromo-5-methyl-2-oxoindol-3-yl)amino]-3-phenylthiourea (CAS 468087-29-8), with molecular formula C16H13BrN4OS and molecular weight 388.00 g/mol. IUPAC: 1-[(6-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-3-phenylthiourea.
Chemical Property Profile of 1-[(6-Bromo-5-methyl-2-oxoindol-3-yl)amino]-3-phenylthiourea
Property Insights of 1-[(6-Bromo-5-methyl-2-oxoindol-3-yl)amino]-3-phenylthiourea
The XLogP value of 5.42512 indicates that 1-[(6-Bromo-5-methyl-2-oxoindol-3-yl)amino]-3-phenylthiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(6-Bromo-5-methyl-2-oxoindol-3-yl)amino]-3-phenylthiourea. Following Lipinski's Rule of Five, 1-[(6-Bromo-5-methyl-2-oxoindol-3-yl)amino]-3-phenylthiourea has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-[(6-Bromo-5-methyl-2-oxoindol-3-yl)amino]-3-phenylthiourea?
The CAS number of 1-[(6-Bromo-5-methyl-2-oxoindol-3-yl)amino]-3-phenylthiourea is 468087-29-8.
What is the molecular formula of 1-[(6-Bromo-5-methyl-2-oxoindol-3-yl)amino]-3-phenylthiourea?
The molecular formula of 1-[(6-Bromo-5-methyl-2-oxoindol-3-yl)amino]-3-phenylthiourea is C16H13BrN4OS.
What is the molecular weight of 1-[(6-Bromo-5-methyl-2-oxoindol-3-yl)amino]-3-phenylthiourea?
The molecular weight of 1-[(6-Bromo-5-methyl-2-oxoindol-3-yl)amino]-3-phenylthiourea is 388.00 g/mol.
Where can I buy 1-[(6-Bromo-5-methyl-2-oxoindol-3-yl)amino]-3-phenylthiourea?
You can request a quote for 1-[(6-Bromo-5-methyl-2-oxoindol-3-yl)amino]-3-phenylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(6-Bromo-5-methyl-2-oxoindol-3-yl)amino]-3-phenylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[(6-Bromo-5-methyl-2-oxoindol-3-yl)amino]-3-phenylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.