C21H22N4O3S
TL;DR: C21H22N4O3S (CAS 307545-86-4) is a chemical compound with molecular formula C21H22N4O3S and molecular weight 410.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)acetamide
Also Known As: AF-399/40713968, N-[(E)-(4-Methoxyphenyl)methylideneamino]-2-(7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)acetamide, (E)-N'-(4-methoxybenzylidene)-2-(7-methyl-4-oxo-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)acetohydrazide, N'-(4-methoxybenzylidene)-2-(7-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetohydrazide, N'-[(E)-(4-methoxyphenyl)methylidene]-2-(7-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetohydrazide
| Molecular Formula | C21H22N4O3S |
|---|---|
| Molecular Weight | 410.14 g/mol |
| LogP | 2.7417 |
| Topological Polar Surface Area | 85.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.14127 |
| Heavy Atoms | 29 |
| Complexity | 1131.2739 |
Chemical Identifiers
| CAS Number | 307545-86-4 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC3=C2C(=O)N(C=N3)CC(=O)N/N=C/C4=CC=C(C=C4)OC |
Product Overview
C21H22N4O3S (CAS 307545-86-4), with molecular formula C21H22N4O3S and molecular weight 410.14 g/mol. IUPAC: N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)acetamide.
Chemical Property Profile of C21H22N4O3S
Property Insights of C21H22N4O3S
The XLogP value of 2.7417 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C21H22N4O3S. The TPSA of 85.58 Ų falls within the moderate polarity range, balancing permeability and solubility for C21H22N4O3S. Following Lipinski's Rule of Five, C21H22N4O3S has 1 hydrogen bond donor(s) and 6 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 C21H22N4O3S?
The CAS number of C21H22N4O3S is 307545-86-4.
What is the molecular formula of C21H22N4O3S?
The molecular formula of C21H22N4O3S is C21H22N4O3S.
What is the molecular weight of C21H22N4O3S?
The molecular weight of C21H22N4O3S is 410.14 g/mol.
Where can I buy C21H22N4O3S?
You can request a quote for C21H22N4O3S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C21H22N4O3S?
Yes, KEHONG BIO provides custom synthesis services for C21H22N4O3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.