C29H25BrN4S
TL;DR: C29H25BrN4S (CAS 328020-98-0) is a chemical compound with molecular formula C29H25BrN4S and molecular weight 540.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromophenyl)-N-(3-methylphenyl)-6-phenyl-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
Also Known As: 1-(4-bromophenyl)-N-(3-methylphenyl)-4-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide, 4-(4-bromophenyl)-1-phenyl-N-(m-tolyl)-5,6,7,8-tetrahydro-2a,3,4a-triazacyclopenta[cd]azulene-2-carbothioamide, C29H25BrN4S
| Molecular Formula | C29H25BrN4S |
|---|---|
| Molecular Weight | 540.10 g/mol |
| LogP | 7.66462 |
| Topological Polar Surface Area | 34.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 540.0983 |
| Heavy Atoms | 35 |
| Complexity | 1547.6671 |
Chemical Identifiers
| CAS Number | 328020-98-0 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=S)C2=C(C3=C4N2N=C(N4CCCC3)C5=CC=C(C=C5)Br)C6=CC=CC=C6 |
Product Overview
C29H25BrN4S (CAS 328020-98-0), with molecular formula C29H25BrN4S and molecular weight 540.10 g/mol. IUPAC: 2-(4-bromophenyl)-N-(3-methylphenyl)-6-phenyl-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide.
Chemical Property Profile of C29H25BrN4S
Property Insights of C29H25BrN4S
The XLogP value of 7.66462 indicates that C29H25BrN4S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.26 Ų, C29H25BrN4S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C29H25BrN4S 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 C29H25BrN4S?
The CAS number of C29H25BrN4S is 328020-98-0.
What is the molecular formula of C29H25BrN4S?
The molecular formula of C29H25BrN4S is C29H25BrN4S.
What is the molecular weight of C29H25BrN4S?
The molecular weight of C29H25BrN4S is 540.10 g/mol.
Where can I buy C29H25BrN4S?
You can request a quote for C29H25BrN4S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C29H25BrN4S?
Yes, KEHONG BIO provides custom synthesis services for C29H25BrN4S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.