![(E)-N-(3-cyano-1-(3-isopropoxypropyl)-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)thiophene-2-carboxamide structure](/static/products/848/848739-68-4.png)
(E)-N-(3-cyano-1-(3-isopropoxypropyl)-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)thiophene-2-carboxamide
TL;DR: (E)-N-(3-cyano-1-(3-isopropoxypropyl)-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)thiophene-2-carboxamide (CAS 848739-68-4) is a chemical compound with molecular formula C23H21N5O3S and molecular weight 447.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-cyano-2-oxo-7-(3-propan-2-yloxypropyl)-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-(3-isopropoxypropyl)-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)thiophene-2-carboxamide, N-[3-cyano-1-(3-isopropoxypropyl)-5-keto-dipyrido[1,2-d:3'',4''-f]pyrimidin-2-ylidene]thiophene-2-carboxamide, N-[3-cyano-5-oxidanylidene-1-(3-propan-2-yloxypropyl)dipyrido[1,2-d:3'',4''-f]pyrimidin-2-ylidene]thiophene-2-carboxamide, N-[3-cyano-5-oxo-1-(3-propan-2-yloxypropyl)-2-dipyrido[1,2-d:3'',4''-f]pyrimidinylidene]-2-thiophenecarboxamide, N-[3-cyano-5-oxo-1-(3-propan-2-yloxypropyl)dipyrido[1,2-d:3'',4''-f]pyrimidin-2-ylidene]thiophene-2-carboxamide
| Molecular Formula | C23H21N5O3S |
|---|---|
| Molecular Weight | 447.14 g/mol |
| LogP | 3.13858 |
| Topological Polar Surface Area | 101.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 447.1365 |
| Heavy Atoms | 32 |
| Complexity | 1459.5352 |
Chemical Identifiers
| CAS Number | 848739-68-4 |
|---|---|
| SMILES | CC(C)OCCCN1C2=C(C=C(C1=NC(=O)C3=CC=CS3)C#N)C(=O)N4C=CC=CC4=N2 |
Product Overview
(E)-N-(3-cyano-1-(3-isopropoxypropyl)-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)thiophene-2-carboxamide (CAS 848739-68-4), with molecular formula C23H21N5O3S and molecular weight 447.14 g/mol. IUPAC: N-[5-cyano-2-oxo-7-(3-propan-2-yloxypropyl)-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-(3-isopropoxypropyl)-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-(3-isopropoxypropyl)-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)thiophene-2-carboxamide
The XLogP value of 3.13858 indicates that (E)-N-(3-cyano-1-(3-isopropoxypropyl)-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 101.75 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N-(3-cyano-1-(3-isopropoxypropyl)-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-(3-isopropoxypropyl)-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)thiophene-2-carboxamide has 0 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 (E)-N-(3-cyano-1-(3-isopropoxypropyl)-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-(3-isopropoxypropyl)-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)thiophene-2-carboxamide is 848739-68-4.
What is the molecular formula of (E)-N-(3-cyano-1-(3-isopropoxypropyl)-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-(3-isopropoxypropyl)-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)thiophene-2-carboxamide is C23H21N5O3S.
What is the molecular weight of (E)-N-(3-cyano-1-(3-isopropoxypropyl)-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-(3-isopropoxypropyl)-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)thiophene-2-carboxamide is 447.14 g/mol.
Where can I buy (E)-N-(3-cyano-1-(3-isopropoxypropyl)-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-(3-isopropoxypropyl)-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-(3-isopropoxypropyl)-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-(3-isopropoxypropyl)-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.