C13H13BrN4OS
TL;DR: C13H13BrN4OS (CAS 585558-60-7) is a chemical compound with molecular formula C13H13BrN4OS and molecular weight 352.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]pyrrolidine-1-carbothioamide
Also Known As: N'-(5-bromo-2-oxoindol-3-yl)pyrrolidine-1-carbothiohydrazide, (Z)-N'-(5-bromo-2-oxoindolin-3-ylidene)pyrrolidine-1-carbothiohydrazide, N'-[(3Z)-5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene]pyrrolidine-1-carbothiohydrazide
| Molecular Formula | C13H13BrN4OS |
|---|---|
| Molecular Weight | 352.00 g/mol |
| LogP | 4.1004 |
| Topological Polar Surface Area | 63.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 351.99933 |
| Heavy Atoms | 20 |
| Complexity | 690.98114 |
Chemical Identifiers
| CAS Number | 585558-60-7 |
|---|---|
| SMILES | C1CCN(C1)C(=S)N=NC2=C(NC3=C2C=C(C=C3)Br)O |
Product Overview
C13H13BrN4OS (CAS 585558-60-7), with molecular formula C13H13BrN4OS and molecular weight 352.00 g/mol. IUPAC: N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]pyrrolidine-1-carbothioamide.
Chemical Property Profile of C13H13BrN4OS
Property Insights of C13H13BrN4OS
The XLogP value of 4.1004 indicates that C13H13BrN4OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.98 Ų falls within the moderate polarity range, balancing permeability and solubility for C13H13BrN4OS. Following Lipinski's Rule of Five, C13H13BrN4OS has 2 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 C13H13BrN4OS?
The CAS number of C13H13BrN4OS is 585558-60-7.
What is the molecular formula of C13H13BrN4OS?
The molecular formula of C13H13BrN4OS is C13H13BrN4OS.
What is the molecular weight of C13H13BrN4OS?
The molecular weight of C13H13BrN4OS is 352.00 g/mol.
Where can I buy C13H13BrN4OS?
You can request a quote for C13H13BrN4OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C13H13BrN4OS?
Yes, KEHONG BIO provides custom synthesis services for C13H13BrN4OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.