C21H16N4O3S
TL;DR: C21H16N4O3S (CAS 797795-98-3) is a chemical compound with molecular formula C21H16N4O3S and molecular weight 404.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 5,6-dimethyl-8-oxo-4-thia-2,9,13,20-tetrazapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),3(7),5,10,12,14,16,18-octaene-11-carboxylate
Also Known As: allyl 2,3-dimethyl-4-oxo-4,5-dihydrothieno[3'',2'':5',6']pyrimido[1',2':1,5]pyrrolo[2,3-b]quinoxaline-6-carboxylate, prop-2-en-1-yl 2,3-dimethyl-4-oxo-4,5-dihydrothieno[3'',2'':5',6']pyrimido[1',2':1,5]pyrrolo[2,3-b]quinoxaline-6-carboxylate
| Molecular Formula | C21H16N4O3S |
|---|---|
| Molecular Weight | 404.09 g/mol |
| LogP | 3.89834 |
| Topological Polar Surface Area | 89.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 404.0943 |
| Heavy Atoms | 29 |
| Complexity | 1540.7502 |
Chemical Identifiers
| CAS Number | 797795-98-3 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)NC3=C(C4=NC5=CC=CC=C5N=C4N32)C(=O)OCC=C)C |
Product Overview
C21H16N4O3S (CAS 797795-98-3), with molecular formula C21H16N4O3S and molecular weight 404.09 g/mol. IUPAC: prop-2-enyl 5,6-dimethyl-8-oxo-4-thia-2,9,13,20-tetrazapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),3(7),5,10,12,14,16,18-octaene-11-carboxylate.
Chemical Property Profile of C21H16N4O3S
Property Insights of C21H16N4O3S
The XLogP value of 3.89834 indicates that C21H16N4O3S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.35 Ų falls within the moderate polarity range, balancing permeability and solubility for C21H16N4O3S. Following Lipinski's Rule of Five, C21H16N4O3S 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 C21H16N4O3S?
The CAS number of C21H16N4O3S is 797795-98-3.
What is the molecular formula of C21H16N4O3S?
The molecular formula of C21H16N4O3S is C21H16N4O3S.
What is the molecular weight of C21H16N4O3S?
The molecular weight of C21H16N4O3S is 404.09 g/mol.
Where can I buy C21H16N4O3S?
You can request a quote for C21H16N4O3S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C21H16N4O3S?
Yes, KEHONG BIO provides custom synthesis services for C21H16N4O3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.