A3402/0144226
TL;DR: A3402/0144226 (CAS 696638-63-8) is a chemical compound with molecular formula C19H19BrN2O2S2 and molecular weight 450.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5-bromothiophen-2-yl)sulfonyl-12-methyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene
Also Known As: A3402/0144226, 3-((5-bromothiophen-2-yl)sulfonyl)-8-methyl-2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazole, 3-[(5-bromo-2-thienyl)sulfonyl]-8-methyl-2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazole, 3-[(5-bromothiophen-2-yl)sulfonyl]-8-methyl-2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazole
| Molecular Formula | C19H19BrN2O2S2 |
|---|---|
| Molecular Weight | 450.01 g/mol |
| LogP | 4.85562 |
| Topological Polar Surface Area | 42.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 450.00714 |
| Heavy Atoms | 26 |
| Complexity | 1130.0665 |
Chemical Identifiers
| CAS Number | 696638-63-8 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N3CCN(C4C3=C2CCC4)S(=O)(=O)C5=CC=C(S5)Br |
Product Overview
A3402/0144226 (CAS 696638-63-8), with molecular formula C19H19BrN2O2S2 and molecular weight 450.01 g/mol. IUPAC: 4-(5-bromothiophen-2-yl)sulfonyl-12-methyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene.
Chemical Property Profile of A3402/0144226
Property Insights of A3402/0144226
The XLogP value of 4.85562 indicates that A3402/0144226 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.31 Ų, A3402/0144226 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3402/0144226 has 0 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 A3402/0144226?
The CAS number of A3402/0144226 is 696638-63-8.
What is the molecular formula of A3402/0144226?
The molecular formula of A3402/0144226 is C19H19BrN2O2S2.
What is the molecular weight of A3402/0144226?
The molecular weight of A3402/0144226 is 450.01 g/mol.
Where can I buy A3402/0144226?
You can request a quote for A3402/0144226 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3402/0144226?
Yes, KEHONG BIO provides custom synthesis services for A3402/0144226 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.