C21H14N6S
TL;DR: C21H14N6S (CAS 877787-46-7) is a chemical compound with molecular formula C21H14N6S and molecular weight 382.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-phenyl-N-[(E)-quinoxalin-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine
Also Known As: (E)-5-phenyl-4-(2-(quinoxalin-2-ylmethylene)hydrazinyl)thieno[2,3-d]pyrimidine, 2-{(E)-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl}quinoxaline
| Molecular Formula | C21H14N6S |
|---|---|
| Molecular Weight | 382.10 g/mol |
| LogP | 4.7475 |
| Topological Polar Surface Area | 75.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 382.10007 |
| Heavy Atoms | 28 |
| Complexity | 1296.3114 |
Chemical Identifiers
| CAS Number | 877787-46-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N/N=C/C4=NC5=CC=CC=C5N=C4 |
Product Overview
C21H14N6S (CAS 877787-46-7), with molecular formula C21H14N6S and molecular weight 382.10 g/mol. IUPAC: 5-phenyl-N-[(E)-quinoxalin-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine.
Chemical Property Profile of C21H14N6S
Property Insights of C21H14N6S
The XLogP value of 4.7475 indicates that C21H14N6S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.95 Ų falls within the moderate polarity range, balancing permeability and solubility for C21H14N6S. Following Lipinski's Rule of Five, C21H14N6S 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 C21H14N6S?
The CAS number of C21H14N6S is 877787-46-7.
What is the molecular formula of C21H14N6S?
The molecular formula of C21H14N6S is C21H14N6S.
What is the molecular weight of C21H14N6S?
The molecular weight of C21H14N6S is 382.10 g/mol.
Where can I buy C21H14N6S?
You can request a quote for C21H14N6S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C21H14N6S?
Yes, KEHONG BIO provides custom synthesis services for C21H14N6S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.