C22H14ClN5S
TL;DR: C22H14ClN5S (CAS 850751-29-0) is a chemical compound with molecular formula C22H14ClN5S and molecular weight 415.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-(2-chloroquinolin-3-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine
Also Known As: (E)-4-(2-((2-chloroquinolin-3-yl)methylene)hydrazinyl)-5-phenylthieno[2,3-d]pyrimidine, 2-chloro-3-{(E)-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl}quinoline
| Molecular Formula | C22H14ClN5S |
|---|---|
| Molecular Weight | 415.07 g/mol |
| LogP | 6.0059 |
| Topological Polar Surface Area | 63.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 415.06586 |
| Heavy Atoms | 29 |
| Complexity | 1347.7114 |
Chemical Identifiers
| CAS Number | 850751-29-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N/N=C/C4=CC5=CC=CC=C5N=C4Cl |
Product Overview
C22H14ClN5S (CAS 850751-29-0), with molecular formula C22H14ClN5S and molecular weight 415.07 g/mol. IUPAC: N-[(E)-(2-chloroquinolin-3-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine.
Chemical Property Profile of C22H14ClN5S
Property Insights of C22H14ClN5S
The XLogP value of 6.0059 indicates that C22H14ClN5S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.06 Ų falls within the moderate polarity range, balancing permeability and solubility for C22H14ClN5S. Following Lipinski's Rule of Five, C22H14ClN5S has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C22H14ClN5S?
The CAS number of C22H14ClN5S is 850751-29-0.
What is the molecular formula of C22H14ClN5S?
The molecular formula of C22H14ClN5S is C22H14ClN5S.
What is the molecular weight of C22H14ClN5S?
The molecular weight of C22H14ClN5S is 415.07 g/mol.
Where can I buy C22H14ClN5S?
You can request a quote for C22H14ClN5S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C22H14ClN5S?
Yes, KEHONG BIO provides custom synthesis services for C22H14ClN5S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.