C28H27N7OS
TL;DR: C28H27N7OS (CAS 109901-91-9) is a chemical compound with molecular formula C28H27N7OS and molecular weight 509.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-benzylidene-N-[(E)-N-[4-(dimethylamino)anilino]-C-(2-methylphenyl)carbonimidoyl]imino-2-methyl-5-oxoimidazole-1-carbothioamide
Also Known As: 1H-Imidazole-1-carbothioic acid, 4,5-dihydro-2-methyl-5-oxo-4-(phenylmethylene)-, (((4-(dimethylamino)phenyl)azo)(2-methylphenyl)methylene)hydrazide
| Molecular Formula | C28H27N7OS |
|---|---|
| Molecular Weight | 509.20 g/mol |
| LogP | 5.87352 |
| Topological Polar Surface Area | 85.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 509.19977 |
| Heavy Atoms | 37 |
| Complexity | 1424.3994 |
Chemical Identifiers
| CAS Number | 109901-91-9 |
|---|---|
| SMILES | CC1=CC=CC=C1/C(=N\NC2=CC=C(C=C2)N(C)C)/N=NC(=S)N3C(=N/C(=C/C4=CC=CC=C4)/C3=O)C |
Product Overview
C28H27N7OS (CAS 109901-91-9), with molecular formula C28H27N7OS and molecular weight 509.20 g/mol. IUPAC: (4E)-4-benzylidene-N-[(E)-N-[4-(dimethylamino)anilino]-C-(2-methylphenyl)carbonimidoyl]imino-2-methyl-5-oxoimidazole-1-carbothioamide.
Chemical Property Profile of C28H27N7OS
Property Insights of C28H27N7OS
The XLogP value of 5.87352 indicates that C28H27N7OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.02 Ų falls within the moderate polarity range, balancing permeability and solubility for C28H27N7OS. Following Lipinski's Rule of Five, C28H27N7OS has 1 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 C28H27N7OS?
The CAS number of C28H27N7OS is 109901-91-9.
What is the molecular formula of C28H27N7OS?
The molecular formula of C28H27N7OS is C28H27N7OS.
What is the molecular weight of C28H27N7OS?
The molecular weight of C28H27N7OS is 509.20 g/mol.
Where can I buy C28H27N7OS?
You can request a quote for C28H27N7OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C28H27N7OS?
Yes, KEHONG BIO provides custom synthesis services for C28H27N7OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.