CAS 109901-85-1 - C27H21N7OS
TL;DR: CAS 109901-85-1 - C27H21N7OS (CAS 109901-85-1) is a chemical compound with molecular formula C27H21N7OS and molecular weight 491.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(N-anilino-C-phenylcarbonimidoyl)imino-5-hydroxy-4-(indol-3-ylidenemethyl)-2-methylimidazole-1-carbothioamide
Also Known As: 1H-Imidazole-1-carbothioic acid, 4,5-dihydro-4-(1H-indol-3-ylmethylene)-2-methyl-5-oxo-, (phenyl(phenylazo)methylene)hydrazide
| Molecular Formula | C27H21N7OS |
|---|---|
| Molecular Weight | 491.15 g/mol |
| LogP | 6.21272 |
| Topological Polar Surface Area | 99.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 491.15283 |
| Heavy Atoms | 36 |
| Complexity | 1537.1077 |
Chemical Identifiers
| CAS Number | 109901-85-1 |
|---|---|
| SMILES | CC1=NC(=C(N1C(=S)N=NC(=NNC2=CC=CC=C2)C3=CC=CC=C3)O)C=C4C=NC5=CC=CC=C54 |
Product Overview
CAS 109901-85-1 - C27H21N7OS (CAS 109901-85-1), with molecular formula C27H21N7OS and molecular weight 491.15 g/mol. IUPAC: N-(N-anilino-C-phenylcarbonimidoyl)imino-5-hydroxy-4-(indol-3-ylidenemethyl)-2-methylimidazole-1-carbothioamide.
Chemical Property Profile of CAS 109901-85-1 - C27H21N7OS
Property Insights of CAS 109901-85-1 - C27H21N7OS
The XLogP value of 6.21272 indicates that CAS 109901-85-1 - C27H21N7OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.52 Ų falls within the moderate polarity range, balancing permeability and solubility for CAS 109901-85-1 - C27H21N7OS. Following Lipinski's Rule of Five, CAS 109901-85-1 - C27H21N7OS has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CAS 109901-85-1 - C27H21N7OS?
The CAS number of CAS 109901-85-1 - C27H21N7OS is 109901-85-1.
What is the molecular formula of CAS 109901-85-1 - C27H21N7OS?
The molecular formula of CAS 109901-85-1 - C27H21N7OS is C27H21N7OS.
What is the molecular weight of CAS 109901-85-1 - C27H21N7OS?
The molecular weight of CAS 109901-85-1 - C27H21N7OS is 491.15 g/mol.
Where can I buy CAS 109901-85-1 - C27H21N7OS?
You can request a quote for CAS 109901-85-1 - C27H21N7OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CAS 109901-85-1 - C27H21N7OS?
Yes, KEHONG BIO provides custom synthesis services for CAS 109901-85-1 - C27H21N7OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.