C21H18ClN5OS
TL;DR: C21H18ClN5OS (CAS 849922-65-2) is a chemical compound with molecular formula C21H18ClN5OS and molecular weight 423.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
Also Known As: (E)-4-(2-((2-chloro-7-methoxyquinolin-3-yl)methylene)hydrazinyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine, 4-{(2E)-2-[(2-chloro-7-methoxyquinolin-3-yl)methylidene]hydrazinyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
| Molecular Formula | C21H18ClN5OS |
|---|---|
| Molecular Weight | 423.09 g/mol |
| LogP | 5.2263 |
| Topological Polar Surface Area | 72.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 423.09207 |
| Heavy Atoms | 29 |
| Complexity | 1253.0165 |
Chemical Identifiers
| CAS Number | 849922-65-2 |
|---|---|
| SMILES | COC1=CC2=NC(=C(C=C2C=C1)/C=N/NC3=C4C5=C(CCCC5)SC4=NC=N3)Cl |
Product Overview
C21H18ClN5OS (CAS 849922-65-2), with molecular formula C21H18ClN5OS and molecular weight 423.09 g/mol. IUPAC: N-[(E)-(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine.
Chemical Property Profile of C21H18ClN5OS
Property Insights of C21H18ClN5OS
The XLogP value of 5.2263 indicates that C21H18ClN5OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.29 Ų falls within the moderate polarity range, balancing permeability and solubility for C21H18ClN5OS. Following Lipinski's Rule of Five, C21H18ClN5OS has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C21H18ClN5OS?
The CAS number of C21H18ClN5OS is 849922-65-2.
What is the molecular formula of C21H18ClN5OS?
The molecular formula of C21H18ClN5OS is C21H18ClN5OS.
What is the molecular weight of C21H18ClN5OS?
The molecular weight of C21H18ClN5OS is 423.09 g/mol.
Where can I buy C21H18ClN5OS?
You can request a quote for C21H18ClN5OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C21H18ClN5OS?
Yes, KEHONG BIO provides custom synthesis services for C21H18ClN5OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.