A3750/0158974
TL;DR: A3750/0158974 (CAS 727669-72-9) is a chemical compound with molecular formula C24H24N4O5 and molecular weight 448.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3'-nitrospiro[1,3-diazinane-5,6'-6a,7,8,9,10,11-hexahydro-5H-azepino[1,2-a]quinoline]-2,4,6-trione
Also Known As: A3750/0158974, 1'-benzyl-3-nitro-6a,7,8,9,10,11-hexahydro-2'H,5H-spiro[azepino[1,2-a]quinoline-6,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione, 1'-benzyl-2'-hydroxy-3-nitro-6a,7,8,9,10,11-hexahydro-4'H,5H-spiro[azepino[1,2-a]quinoline-6,5'-pyrimidine]-4',6'(1'H)-dione, 1'-benzyl-3-nitro-6a,7,8,9,10,11-hexahydro-1'H,5H-spiro[azepino[1,2-a]quinoline-6,5'-pyrimidine]-2',4',6'(3'H)-trione, 1-benzyl-3'-nitrospiro[1,3-diazinane-5,6'-6a,7,8,9,10,11-hexahydro-5H-azepino[1,2-a]quinoline]-2,4,6-trione
| Molecular Formula | C24H24N4O5 |
|---|---|
| Molecular Weight | 448.17 g/mol |
| LogP | 3.1649 |
| Topological Polar Surface Area | 112.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 448.17468 |
| Heavy Atoms | 33 |
| Complexity | 1150.7985 |
Chemical Identifiers
| CAS Number | 727669-72-9 |
|---|---|
| SMILES | C1CCC2C3(CC4=C(N2CC1)C=CC(=C4)[N+](=O)[O-])C(=O)NC(=O)N(C3=O)CC5=CC=CC=C5 |
Product Overview
A3750/0158974 (CAS 727669-72-9), with molecular formula C24H24N4O5 and molecular weight 448.17 g/mol. IUPAC: 1-benzyl-3'-nitrospiro[1,3-diazinane-5,6'-6a,7,8,9,10,11-hexahydro-5H-azepino[1,2-a]quinoline]-2,4,6-trione.
Chemical Property Profile of A3750/0158974
Property Insights of A3750/0158974
The XLogP value of 3.1649 indicates that A3750/0158974 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.86 Ų falls within the moderate polarity range, balancing permeability and solubility for A3750/0158974. Following Lipinski's Rule of Five, A3750/0158974 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 A3750/0158974?
The CAS number of A3750/0158974 is 727669-72-9.
What is the molecular formula of A3750/0158974?
The molecular formula of A3750/0158974 is C24H24N4O5.
What is the molecular weight of A3750/0158974?
The molecular weight of A3750/0158974 is 448.17 g/mol.
Where can I buy A3750/0158974?
You can request a quote for A3750/0158974 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3750/0158974?
Yes, KEHONG BIO provides custom synthesis services for A3750/0158974 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.