C20H18N6O2S
TL;DR: C20H18N6O2S (CAS 587000-77-9) is a chemical compound with molecular formula C20H18N6O2S and molecular weight 406.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-6-[(Z)-indol-3-ylidenemethyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C20H18N6O2S |
|---|---|
| Molecular Weight | 406.12 g/mol |
| LogP | 2.1546 |
| Topological Polar Surface Area | 105.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 406.1212 |
| Heavy Atoms | 29 |
| Complexity | 1249.5802 |
Chemical Identifiers
| CAS Number | 587000-77-9 |
|---|---|
| SMILES | C1CCN(C1)C(=O)CC2=NN3C(=C(C(=O)N=C3S2)/C=C/4\C=NC5=CC=CC=C54)N |
Product Overview
C20H18N6O2S (CAS 587000-77-9), with molecular formula C20H18N6O2S and molecular weight 406.12 g/mol. IUPAC: 5-amino-6-[(Z)-indol-3-ylidenemethyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of C20H18N6O2S
Property Insights of C20H18N6O2S
The XLogP value of 2.1546 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C20H18N6O2S. The TPSA of 105.95 Ų falls within the moderate polarity range, balancing permeability and solubility for C20H18N6O2S. Following Lipinski's Rule of Five, C20H18N6O2S has 1 hydrogen bond donor(s) and 7 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 C20H18N6O2S?
The CAS number of C20H18N6O2S is 587000-77-9.
What is the molecular formula of C20H18N6O2S?
The molecular formula of C20H18N6O2S is C20H18N6O2S.
What is the molecular weight of C20H18N6O2S?
The molecular weight of C20H18N6O2S is 406.12 g/mol.
Where can I buy C20H18N6O2S?
You can request a quote for C20H18N6O2S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C20H18N6O2S?
Yes, KEHONG BIO provides custom synthesis services for C20H18N6O2S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.