C17H23N5S
TL;DR: C17H23N5S (CAS 346693-91-2) is a chemical compound with molecular formula C17H23N5S and molecular weight 329.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(Z)-(1-methyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-ylidene)amino]-3-phenylthiourea
Also Known As: 1-Methyl-3,6-diazahomoadamantan-9-one 4-phenylthiosemicarbazone, (Z)-2-(1-methyl-3,6-diazatricyclo[4.3.1.1(3,8)]undecan-9-ylidene)-N-phenylhydrazinecarbothioamide, {[(1-methyl-3,6-diazatricyclo[4.3.1.1<3,8>]undec-9-ylidene)azamethyl]amino}(ph enylamino)methane-1-thione
| Molecular Formula | C17H23N5S |
|---|---|
| Molecular Weight | 329.17 g/mol |
| LogP | 1.5963 |
| Topological Polar Surface Area | 42.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 329.16742 |
| Heavy Atoms | 23 |
| Complexity | 613.13074 |
Chemical Identifiers
| CAS Number | 346693-91-2 |
|---|---|
| SMILES | CC1\2CN3CCN(C1)CC(C3)/C2=N/NC(=S)NC4=CC=CC=C4 |
Product Overview
C17H23N5S (CAS 346693-91-2), with molecular formula C17H23N5S and molecular weight 329.17 g/mol. IUPAC: 1-[(Z)-(1-methyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-ylidene)amino]-3-phenylthiourea.
Chemical Property Profile of C17H23N5S
Property Insights of C17H23N5S
The XLogP value of 1.5963 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C17H23N5S. With a topological polar surface area (TPSA) of 42.9 Ų, C17H23N5S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C17H23N5S has 2 hydrogen bond donor(s) and 4 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 C17H23N5S?
The CAS number of C17H23N5S is 346693-91-2.
What is the molecular formula of C17H23N5S?
The molecular formula of C17H23N5S is C17H23N5S.
What is the molecular weight of C17H23N5S?
The molecular weight of C17H23N5S is 329.17 g/mol.
Where can I buy C17H23N5S?
You can request a quote for C17H23N5S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C17H23N5S?
Yes, KEHONG BIO provides custom synthesis services for C17H23N5S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.