C17H17N5S
TL;DR: C17H17N5S (CAS 444092-06-2) is a chemical compound with molecular formula C17H17N5S and molecular weight 323.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-(2,5-dimethyl-1-quinolin-6-ylpyrrol-3-yl)methylideneamino]thiourea
Also Known As: AO-081/15569284, 2,5-dimethyl-1-(6-quinolinyl)-1H-pyrrole-3-carbaldehyde thiosemicarbazone, (E)-2-((2,5-dimethyl-1-(quinolin-6-yl)-1H-pyrrol-3-yl)methylene)hydrazinecarbothioamide, (2E)-2-{[2,5-dimethyl-1-(quinolin-6-yl)-1H-pyrrol-3-yl]methylidene}hydrazinecarbothioamide
| Molecular Formula | C17H17N5S |
|---|---|
| Molecular Weight | 323.12 g/mol |
| LogP | 2.80944 |
| Topological Polar Surface Area | 68.23 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.12045 |
| Heavy Atoms | 23 |
| Complexity | 910.4878 |
Chemical Identifiers
| CAS Number | 444092-06-2 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC3=C(C=C2)N=CC=C3)C)/C=N/NC(=S)N |
Product Overview
C17H17N5S (CAS 444092-06-2), with molecular formula C17H17N5S and molecular weight 323.12 g/mol. IUPAC: [(E)-(2,5-dimethyl-1-quinolin-6-ylpyrrol-3-yl)methylideneamino]thiourea.
Chemical Property Profile of C17H17N5S
Property Insights of C17H17N5S
The XLogP value of 2.80944 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C17H17N5S. The TPSA of 68.23 Ų falls within the moderate polarity range, balancing permeability and solubility for C17H17N5S. Following Lipinski's Rule of Five, C17H17N5S 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 C17H17N5S?
The CAS number of C17H17N5S is 444092-06-2.
What is the molecular formula of C17H17N5S?
The molecular formula of C17H17N5S is C17H17N5S.
What is the molecular weight of C17H17N5S?
The molecular weight of C17H17N5S is 323.12 g/mol.
Where can I buy C17H17N5S?
You can request a quote for C17H17N5S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C17H17N5S?
Yes, KEHONG BIO provides custom synthesis services for C17H17N5S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.