![methyl 3-[(benzylcarbamothioyl)amino]-5-bromo-1H-indole-2-carboxylate structure](/static/products/488/488095-87-0.png)
methyl 3-[(benzylcarbamothioyl)amino]-5-bromo-1H-indole-2-carboxylate
TL;DR: methyl 3-[(benzylcarbamothioyl)amino]-5-bromo-1H-indole-2-carboxylate (CAS 488095-87-0) is a chemical compound with molecular formula C18H16BrN3O2S and molecular weight 417.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(benzylcarbamothioylamino)-5-bromo-1H-indole-2-carboxylate
Also Known As: methyl 3-(3-benzylthioureido)-5-bromo-1H-indole-2-carboxylate, methyl 3-(benzylcarbamothioylamino)-5-bromo-1H-indole-2-carboxylate, methyl 3-[(benzylcarbamothioyl)amino]-5-bromo-1H-indole-2-carboxylate
| Molecular Formula | C18H16BrN3O2S |
|---|---|
| Molecular Weight | 417.01 g/mol |
| LogP | 4.2036 |
| Topological Polar Surface Area | 66.15 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 417.01465 |
| Heavy Atoms | 25 |
| Complexity | 924.7208 |
Chemical Identifiers
| CAS Number | 488095-87-0 |
|---|---|
| SMILES | COC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)NC(=S)NCC3=CC=CC=C3 |
Product Overview
methyl 3-[(benzylcarbamothioyl)amino]-5-bromo-1H-indole-2-carboxylate (CAS 488095-87-0), with molecular formula C18H16BrN3O2S and molecular weight 417.01 g/mol. IUPAC: methyl 3-(benzylcarbamothioylamino)-5-bromo-1H-indole-2-carboxylate.
Chemical Property Profile of methyl 3-[(benzylcarbamothioyl)amino]-5-bromo-1H-indole-2-carboxylate
Property Insights of methyl 3-[(benzylcarbamothioyl)amino]-5-bromo-1H-indole-2-carboxylate
The XLogP value of 4.2036 indicates that methyl 3-[(benzylcarbamothioyl)amino]-5-bromo-1H-indole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.15 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-[(benzylcarbamothioyl)amino]-5-bromo-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, methyl 3-[(benzylcarbamothioyl)amino]-5-bromo-1H-indole-2-carboxylate has 3 hydrogen bond donor(s) and 3 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 methyl 3-[(benzylcarbamothioyl)amino]-5-bromo-1H-indole-2-carboxylate?
The CAS number of methyl 3-[(benzylcarbamothioyl)amino]-5-bromo-1H-indole-2-carboxylate is 488095-87-0.
What is the molecular formula of methyl 3-[(benzylcarbamothioyl)amino]-5-bromo-1H-indole-2-carboxylate?
The molecular formula of methyl 3-[(benzylcarbamothioyl)amino]-5-bromo-1H-indole-2-carboxylate is C18H16BrN3O2S.
What is the molecular weight of methyl 3-[(benzylcarbamothioyl)amino]-5-bromo-1H-indole-2-carboxylate?
The molecular weight of methyl 3-[(benzylcarbamothioyl)amino]-5-bromo-1H-indole-2-carboxylate is 417.01 g/mol.
Where can I buy methyl 3-[(benzylcarbamothioyl)amino]-5-bromo-1H-indole-2-carboxylate?
You can request a quote for methyl 3-[(benzylcarbamothioyl)amino]-5-bromo-1H-indole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-[(benzylcarbamothioyl)amino]-5-bromo-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-[(benzylcarbamothioyl)amino]-5-bromo-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.