C25H23BrN4S
TL;DR: C25H23BrN4S (CAS 313396-01-9) is a chemical compound with molecular formula C25H23BrN4S and molecular weight 490.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromophenyl)-6-phenyl-N-prop-2-enyl-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
Also Known As: ChemDiv1_020793, F0386-0026, 2-(4-bromophenyl)-6-phenyl-N-(prop-2-en-1-yl)-1,3,4-triazatricyclo[5.4.1.0^{4,12}]dodeca-2,5,7(12)-triene-5-carbothioamide, N-allyl-4-(4-bromophenyl)-1-phenyl-5,6,7,8-tetrahydro-2a,3,4a-triazacyclopenta[cd]azulene-2-carbothioamide, 2-(4-bromophenyl)-6-phenyl-N-prop-2-enyl-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
| Molecular Formula | C25H23BrN4S |
|---|---|
| Molecular Weight | 490.08 g/mol |
| LogP | 6.0197 |
| Topological Polar Surface Area | 34.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 490.08267 |
| Heavy Atoms | 31 |
| Complexity | 1268.8458 |
Chemical Identifiers
| CAS Number | 313396-01-9 |
|---|---|
| SMILES | C=CCNC(=S)C1=C(C2=C3N1N=C(N3CCCC2)C4=CC=C(C=C4)Br)C5=CC=CC=C5 |
Product Overview
C25H23BrN4S (CAS 313396-01-9), with molecular formula C25H23BrN4S and molecular weight 490.08 g/mol. IUPAC: 2-(4-bromophenyl)-6-phenyl-N-prop-2-enyl-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide.
Chemical Property Profile of C25H23BrN4S
Property Insights of C25H23BrN4S
The XLogP value of 6.0197 indicates that C25H23BrN4S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.26 Ų, C25H23BrN4S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C25H23BrN4S has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C25H23BrN4S?
The CAS number of C25H23BrN4S is 313396-01-9.
What is the molecular formula of C25H23BrN4S?
The molecular formula of C25H23BrN4S is C25H23BrN4S.
What is the molecular weight of C25H23BrN4S?
The molecular weight of C25H23BrN4S is 490.08 g/mol.
Where can I buy C25H23BrN4S?
You can request a quote for C25H23BrN4S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C25H23BrN4S?
Yes, KEHONG BIO provides custom synthesis services for C25H23BrN4S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.