![N-(2H-1,3-benzodioxol-5-yl)-2-{[3-oxo-2-(2-{[(thiophen-2-yl)methyl]carbamoyl}ethyl)-2H,3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl}butanamide structure](/static/products/1037/1037822-92-6.webp)
N-(2H-1,3-benzodioxol-5-yl)-2-{[3-oxo-2-(2-{[(thiophen-2-yl)methyl]carbamoyl}ethyl)-2H,3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl}butanamide
TL;DR: N-(2H-1,3-benzodioxol-5-yl)-2-{[3-oxo-2-(2-{[(thiophen-2-yl)methyl]carbamoyl}ethyl)-2H,3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl}butanamide (CAS 1037822-92-6) is a chemical compound with molecular formula C29H27N5O5S2 and molecular weight 589.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-2-[[3-oxo-2-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
Also Known As: N-(2H-1,3-benzodioxol-5-yl)-2-{[3-oxo-2-(2-{[(thiophen-2-yl)methyl]carbamoyl}ethyl)-2H,3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl}butanamide, F6548-3821, N-(1,3-benzodioxol-5-yl)-2-[[3-oxo-2-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
| Molecular Formula | C29H27N5O5S2 |
|---|---|
| Molecular Weight | 589.15 g/mol |
| LogP | 4.6824 |
| Topological Polar Surface Area | 121.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 589.1454 |
| Heavy Atoms | 41 |
| Complexity | 1554.6287 |
Chemical Identifiers
| CAS Number | 1037822-92-6 |
|---|---|
| SMILES | CCC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC=C4C5=NC(C(=O)N53)CCC(=O)NCC6=CC=CS6 |
Product Overview
N-(2H-1,3-benzodioxol-5-yl)-2-{[3-oxo-2-(2-{[(thiophen-2-yl)methyl]carbamoyl}ethyl)-2H,3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl}butanamide (CAS 1037822-92-6), with molecular formula C29H27N5O5S2 and molecular weight 589.15 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-2-[[3-oxo-2-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide.
Chemical Property Profile of N-(2H-1,3-benzodioxol-5-yl)-2-{[3-oxo-2-(2-{[(thiophen-2-yl)methyl]carbamoyl}ethyl)-2H,3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl}butanamide
Property Insights of N-(2H-1,3-benzodioxol-5-yl)-2-{[3-oxo-2-(2-{[(thiophen-2-yl)methyl]carbamoyl}ethyl)-2H,3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl}butanamide
The XLogP value of 4.6824 indicates that N-(2H-1,3-benzodioxol-5-yl)-2-{[3-oxo-2-(2-{[(thiophen-2-yl)methyl]carbamoyl}ethyl)-2H,3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl}butanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.69 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2H-1,3-benzodioxol-5-yl)-2-{[3-oxo-2-(2-{[(thiophen-2-yl)methyl]carbamoyl}ethyl)-2H,3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl}butanamide. Following Lipinski's Rule of Five, N-(2H-1,3-benzodioxol-5-yl)-2-{[3-oxo-2-(2-{[(thiophen-2-yl)methyl]carbamoyl}ethyl)-2H,3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl}butanamide has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(2H-1,3-benzodioxol-5-yl)-2-{[3-oxo-2-(2-{[(thiophen-2-yl)methyl]carbamoyl}ethyl)-2H,3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl}butanamide?
The CAS number of N-(2H-1,3-benzodioxol-5-yl)-2-{[3-oxo-2-(2-{[(thiophen-2-yl)methyl]carbamoyl}ethyl)-2H,3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl}butanamide is 1037822-92-6.
What is the molecular formula of N-(2H-1,3-benzodioxol-5-yl)-2-{[3-oxo-2-(2-{[(thiophen-2-yl)methyl]carbamoyl}ethyl)-2H,3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl}butanamide?
The molecular formula of N-(2H-1,3-benzodioxol-5-yl)-2-{[3-oxo-2-(2-{[(thiophen-2-yl)methyl]carbamoyl}ethyl)-2H,3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl}butanamide is C29H27N5O5S2.
What is the molecular weight of N-(2H-1,3-benzodioxol-5-yl)-2-{[3-oxo-2-(2-{[(thiophen-2-yl)methyl]carbamoyl}ethyl)-2H,3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl}butanamide?
The molecular weight of N-(2H-1,3-benzodioxol-5-yl)-2-{[3-oxo-2-(2-{[(thiophen-2-yl)methyl]carbamoyl}ethyl)-2H,3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl}butanamide is 589.15 g/mol.
Where can I buy N-(2H-1,3-benzodioxol-5-yl)-2-{[3-oxo-2-(2-{[(thiophen-2-yl)methyl]carbamoyl}ethyl)-2H,3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl}butanamide?
You can request a quote for N-(2H-1,3-benzodioxol-5-yl)-2-{[3-oxo-2-(2-{[(thiophen-2-yl)methyl]carbamoyl}ethyl)-2H,3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl}butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2H-1,3-benzodioxol-5-yl)-2-{[3-oxo-2-(2-{[(thiophen-2-yl)methyl]carbamoyl}ethyl)-2H,3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl}butanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2H-1,3-benzodioxol-5-yl)-2-{[3-oxo-2-(2-{[(thiophen-2-yl)methyl]carbamoyl}ethyl)-2H,3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl}butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.