![7-ethyl-2-[5-(2-methyl-4-nitrophenyl)(2-furyl)]-1,2,3,5,6,7,8-heptahydropyrimi dino[5',4'-4,5]thiopheno[2,3-c]pyridin-4-one structure](/static/products/4382/438217-26-6.webp)
7-ethyl-2-[5-(2-methyl-4-nitrophenyl)(2-furyl)]-1,2,3,5,6,7,8-heptahydropyrimi dino[5',4'-4,5]thiopheno[2,3-c]pyridin-4-one
TL;DR: 7-ethyl-2-[5-(2-methyl-4-nitrophenyl)(2-furyl)]-1,2,3,5,6,7,8-heptahydropyrimi dino[5',4'-4,5]thiopheno[2,3-c]pyridin-4-one (CAS 438217-26-6) is a chemical compound with molecular formula C22H22N4O4S and molecular weight 438.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-ethyl-5-[5-(2-methyl-4-nitrophenyl)furan-2-yl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one
Also Known As: 7-ethyl-2-[5-(2-methyl-4-nitrophenyl)(2-furyl)]-1,2,3,5,6,7,8-heptahydropyrimi dino[5',4'-4,5]thiopheno[2,3-c]pyridin-4-one, 7-ETHYL-2-[5-(2-METHYL-4-NITROPHENYL)-2-FURYL]-2,3,5,6,7,8-HEXAHYDROPYRIDO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-4(1H)-ONE, 7-ethyl-2-[5-(2-methyl-4-nitrophenyl)furan-2-yl]-1,2,3,5,6,8-hexahydropyrido[2,3]thieno[2,4-d]pyrimidin-4-one, 7-ethyl-2-[5-(2-methyl-4-nitrophenyl)furan-2-yl]-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one
| Molecular Formula | C22H22N4O4S |
|---|---|
| Molecular Weight | 438.14 g/mol |
| LogP | 4.45682 |
| Topological Polar Surface Area | 100.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 438.13617 |
| Heavy Atoms | 31 |
| Complexity | 1198.3351 |
Chemical Identifiers
| CAS Number | 438217-26-6 |
|---|---|
| SMILES | CCN1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC=C(O4)C5=C(C=C(C=C5)[N+](=O)[O-])C |
Product Overview
7-ethyl-2-[5-(2-methyl-4-nitrophenyl)(2-furyl)]-1,2,3,5,6,7,8-heptahydropyrimi dino[5',4'-4,5]thiopheno[2,3-c]pyridin-4-one (CAS 438217-26-6), with molecular formula C22H22N4O4S and molecular weight 438.14 g/mol. IUPAC: 11-ethyl-5-[5-(2-methyl-4-nitrophenyl)furan-2-yl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one.
Chemical Property Profile of 7-ethyl-2-[5-(2-methyl-4-nitrophenyl)(2-furyl)]-1,2,3,5,6,7,8-heptahydropyrimi dino[5',4'-4,5]thiopheno[2,3-c]pyridin-4-one
Property Insights of 7-ethyl-2-[5-(2-methyl-4-nitrophenyl)(2-furyl)]-1,2,3,5,6,7,8-heptahydropyrimi dino[5',4'-4,5]thiopheno[2,3-c]pyridin-4-one
The XLogP value of 4.45682 indicates that 7-ethyl-2-[5-(2-methyl-4-nitrophenyl)(2-furyl)]-1,2,3,5,6,7,8-heptahydropyrimi dino[5',4'-4,5]thiopheno[2,3-c]pyridin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-ethyl-2-[5-(2-methyl-4-nitrophenyl)(2-furyl)]-1,2,3,5,6,7,8-heptahydropyrimi dino[5',4'-4,5]thiopheno[2,3-c]pyridin-4-one. Following Lipinski's Rule of Five, 7-ethyl-2-[5-(2-methyl-4-nitrophenyl)(2-furyl)]-1,2,3,5,6,7,8-heptahydropyrimi dino[5',4'-4,5]thiopheno[2,3-c]pyridin-4-one has 2 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 7-ethyl-2-[5-(2-methyl-4-nitrophenyl)(2-furyl)]-1,2,3,5,6,7,8-heptahydropyrimi dino[5',4'-4,5]thiopheno[2,3-c]pyridin-4-one?
The CAS number of 7-ethyl-2-[5-(2-methyl-4-nitrophenyl)(2-furyl)]-1,2,3,5,6,7,8-heptahydropyrimi dino[5',4'-4,5]thiopheno[2,3-c]pyridin-4-one is 438217-26-6.
What is the molecular formula of 7-ethyl-2-[5-(2-methyl-4-nitrophenyl)(2-furyl)]-1,2,3,5,6,7,8-heptahydropyrimi dino[5',4'-4,5]thiopheno[2,3-c]pyridin-4-one?
The molecular formula of 7-ethyl-2-[5-(2-methyl-4-nitrophenyl)(2-furyl)]-1,2,3,5,6,7,8-heptahydropyrimi dino[5',4'-4,5]thiopheno[2,3-c]pyridin-4-one is C22H22N4O4S.
What is the molecular weight of 7-ethyl-2-[5-(2-methyl-4-nitrophenyl)(2-furyl)]-1,2,3,5,6,7,8-heptahydropyrimi dino[5',4'-4,5]thiopheno[2,3-c]pyridin-4-one?
The molecular weight of 7-ethyl-2-[5-(2-methyl-4-nitrophenyl)(2-furyl)]-1,2,3,5,6,7,8-heptahydropyrimi dino[5',4'-4,5]thiopheno[2,3-c]pyridin-4-one is 438.14 g/mol.
Where can I buy 7-ethyl-2-[5-(2-methyl-4-nitrophenyl)(2-furyl)]-1,2,3,5,6,7,8-heptahydropyrimi dino[5',4'-4,5]thiopheno[2,3-c]pyridin-4-one?
You can request a quote for 7-ethyl-2-[5-(2-methyl-4-nitrophenyl)(2-furyl)]-1,2,3,5,6,7,8-heptahydropyrimi dino[5',4'-4,5]thiopheno[2,3-c]pyridin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-ethyl-2-[5-(2-methyl-4-nitrophenyl)(2-furyl)]-1,2,3,5,6,7,8-heptahydropyrimi dino[5',4'-4,5]thiopheno[2,3-c]pyridin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 7-ethyl-2-[5-(2-methyl-4-nitrophenyl)(2-furyl)]-1,2,3,5,6,7,8-heptahydropyrimi dino[5',4'-4,5]thiopheno[2,3-c]pyridin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.