![(E)-N-(3-cyano-1-isobutyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)thiophene-2-carboxamide structure](/static/products/848/848670-99-5.png)
(E)-N-(3-cyano-1-isobutyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)thiophene-2-carboxamide
TL;DR: (E)-N-(3-cyano-1-isobutyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)thiophene-2-carboxamide (CAS 848670-99-5) is a chemical compound with molecular formula C22H19N5O2S and molecular weight 417.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-cyano-11-methyl-7-(2-methylpropyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-6-ylidene]thiophene-2-carboxamide
Also Known As: (E)-N-(3-cyano-1-isobutyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)thiophene-2-carboxamide, N-[(2E)-3-cyano-10-methyl-1-(2-methylpropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]thiophene-2-carboxamide, Thiophene-2-carboxylic acid [3-cyano-1-isobutyl-8-methyl-10-oxo-1,10-dihydro-1,9,10a-triaza-anthracen-(2E)-ylidene]-amide
| Molecular Formula | C22H19N5O2S |
|---|---|
| Molecular Weight | 417.13 g/mol |
| LogP | 3.2879 |
| Topological Polar Surface Area | 92.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 417.12595 |
| Heavy Atoms | 30 |
| Complexity | 1453.6763 |
Chemical Identifiers
| CAS Number | 848670-99-5 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=NC(=O)C4=CC=CS4)N3CC(C)C)C#N |
Product Overview
(E)-N-(3-cyano-1-isobutyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)thiophene-2-carboxamide (CAS 848670-99-5), with molecular formula C22H19N5O2S and molecular weight 417.13 g/mol. IUPAC: N-[5-cyano-11-methyl-7-(2-methylpropyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-6-ylidene]thiophene-2-carboxamide.
Chemical Property Profile of (E)-N-(3-cyano-1-isobutyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)thiophene-2-carboxamide
Property Insights of (E)-N-(3-cyano-1-isobutyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)thiophene-2-carboxamide
The XLogP value of 3.2879 indicates that (E)-N-(3-cyano-1-isobutyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)thiophene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.52 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N-(3-cyano-1-isobutyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)thiophene-2-carboxamide. Following Lipinski's Rule of Five, (E)-N-(3-cyano-1-isobutyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)thiophene-2-carboxamide has 0 hydrogen bond donor(s) and 5 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 (E)-N-(3-cyano-1-isobutyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)thiophene-2-carboxamide?
The CAS number of (E)-N-(3-cyano-1-isobutyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)thiophene-2-carboxamide is 848670-99-5.
What is the molecular formula of (E)-N-(3-cyano-1-isobutyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)thiophene-2-carboxamide?
The molecular formula of (E)-N-(3-cyano-1-isobutyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)thiophene-2-carboxamide is C22H19N5O2S.
What is the molecular weight of (E)-N-(3-cyano-1-isobutyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)thiophene-2-carboxamide?
The molecular weight of (E)-N-(3-cyano-1-isobutyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)thiophene-2-carboxamide is 417.13 g/mol.
Where can I buy (E)-N-(3-cyano-1-isobutyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)thiophene-2-carboxamide?
You can request a quote for (E)-N-(3-cyano-1-isobutyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)thiophene-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-N-(3-cyano-1-isobutyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)thiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-(3-cyano-1-isobutyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)thiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.