C20H19BrN4OS
TL;DR: C20H19BrN4OS (CAS 374097-85-5) is a chemical compound with molecular formula C20H19BrN4OS and molecular weight 442.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(Z)-[5-bromo-1-[(dimethylamino)methyl]-2-oxoindol-3-ylidene]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Also Known As: (Z)-2-((5-bromo-1-((dimethylamino)methyl)-2-oxoindolin-3-ylidene)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile, 2-({(3Z)-5-bromo-1-[(dimethylamino)methyl]-2-oxo-1,2-dihydro-3H-indol-3-ylidene}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile, 2-[(Z)-[5-bromo-1-(dimethylaminomethyl)-2-oxoindol-3-ylidene]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
| Molecular Formula | C20H19BrN4OS |
|---|---|
| Molecular Weight | 442.05 g/mol |
| LogP | 4.24758 |
| Topological Polar Surface Area | 59.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 442.0463 |
| Heavy Atoms | 27 |
| Complexity | 1002.1411 |
Chemical Identifiers
| CAS Number | 374097-85-5 |
|---|---|
| SMILES | CN(C)CN1C2=C(C=C(C=C2)Br)/C(=N/C3=C(C4=C(S3)CCCC4)C#N)/C1=O |
Product Overview
C20H19BrN4OS (CAS 374097-85-5), with molecular formula C20H19BrN4OS and molecular weight 442.05 g/mol. IUPAC: 2-[(Z)-[5-bromo-1-[(dimethylamino)methyl]-2-oxoindol-3-ylidene]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile.
Chemical Property Profile of C20H19BrN4OS
Property Insights of C20H19BrN4OS
The XLogP value of 4.24758 indicates that C20H19BrN4OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.7 Ų, C20H19BrN4OS exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C20H19BrN4OS has 0 hydrogen bond donor(s) and 5 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 C20H19BrN4OS?
The CAS number of C20H19BrN4OS is 374097-85-5.
What is the molecular formula of C20H19BrN4OS?
The molecular formula of C20H19BrN4OS is C20H19BrN4OS.
What is the molecular weight of C20H19BrN4OS?
The molecular weight of C20H19BrN4OS is 442.05 g/mol.
Where can I buy C20H19BrN4OS?
You can request a quote for C20H19BrN4OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C20H19BrN4OS?
Yes, KEHONG BIO provides custom synthesis services for C20H19BrN4OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.