C21H22BrN3OS
TL;DR: C21H22BrN3OS (CAS 612048-05-2) is a chemical compound with molecular formula C21H22BrN3OS and molecular weight 443.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide
Also Known As: (E)-N'-(1-(5-bromothiophen-2-yl)ethylidene)-3-(3,4-dihydro-1H-carbazol-9(2H)-yl)propanehydrazide, N'-[(1E)-1-(5-bromothiophen-2-yl)ethylidene]-3-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)propanehydrazide, N'-[(1E)-1-(5-BROMOTHIOPHEN-2-YL)ETHYLIDENE]-3-(2,3,4,9-TETRAHYDRO-1H-CARBAZOL-9-YL)PROPANEHYDRAZIDE, N'-[(E)-1-(5-bromo-2-thienyl)ethylidene]-3-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)propanohydrazide, N-[1-(5-bromothiophen-2-yl)ethylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide
| Molecular Formula | C21H22BrN3OS |
|---|---|
| Molecular Weight | 443.07 g/mol |
| LogP | 5.2746 |
| Topological Polar Surface Area | 46.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 443.0667 |
| Heavy Atoms | 27 |
| Complexity | 1017.78046 |
Chemical Identifiers
| CAS Number | 612048-05-2 |
|---|---|
| SMILES | C/C(=N\NC(=O)CCN1C2=C(CCCC2)C3=CC=CC=C31)/C4=CC=C(S4)Br |
Product Overview
C21H22BrN3OS (CAS 612048-05-2), with molecular formula C21H22BrN3OS and molecular weight 443.07 g/mol. IUPAC: N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide.
Chemical Property Profile of C21H22BrN3OS
Property Insights of C21H22BrN3OS
The XLogP value of 5.2746 indicates that C21H22BrN3OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.39 Ų, C21H22BrN3OS exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C21H22BrN3OS has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C21H22BrN3OS?
The CAS number of C21H22BrN3OS is 612048-05-2.
What is the molecular formula of C21H22BrN3OS?
The molecular formula of C21H22BrN3OS is C21H22BrN3OS.
What is the molecular weight of C21H22BrN3OS?
The molecular weight of C21H22BrN3OS is 443.07 g/mol.
Where can I buy C21H22BrN3OS?
You can request a quote for C21H22BrN3OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C21H22BrN3OS?
Yes, KEHONG BIO provides custom synthesis services for C21H22BrN3OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.