(4S,4aS)-7-benzyl-4-(benzylideneamino)-4-methyl-4aH-2,7-naphthyridine-1,3-dione
TL;DR: (4S,4aS)-7-benzyl-4-(benzylideneamino)-4-methyl-4aH-2,7-naphthyridine-1,3-dione (CAS 85313-11-7) is a chemical compound with molecular formula C23H21N3O2 and molecular weight 371.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S,4aS)-7-benzyl-4-(benzylideneamino)-4-methyl-4aH-2,7-naphthyridine-1,3-dione
Also Known As: (4S,4aS)-7-benzyl-4-(benzylideneamino)-4-methyl-4aH-2,7-naph, (4S,4aS)-7-benzyl-4-(benzylideneamino)-4-methyl-4aH-2,7-naphthyridine-1,3-dione, (4S,4aS)-7-Benzyl-4-[(E)-benzylideneamino]-4-methyl-4a,7-dihydro-2,7-naphthyridine-1,3(2H,4H)-dione
| Molecular Formula | C23H21N3O2 |
|---|---|
| Molecular Weight | 371.16 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 371.1634 |
| Heavy Atoms | 28 |
| Complexity | 699.0 |
Chemical Identifiers
| CAS Number | 85313-11-7 |
|---|---|
| SMILES | C[C@@]1([C@H]2C=CN(C=C2C(=O)NC1=O)CC3=CC=CC=C3)N=CC4=CC=CC=C4 |
| InChIKey | IZUOGBDVWLKGFE-REWPJTCUSA-N |
Product Overview
(4S,4aS)-7-benzyl-4-(benzylideneamino)-4-methyl-4aH-2,7-naphthyridine-1,3-dione (CAS 85313-11-7), with molecular formula C23H21N3O2 and molecular weight 371.16 g/mol. IUPAC: (4S,4aS)-7-benzyl-4-(benzylideneamino)-4-methyl-4aH-2,7-naphthyridine-1,3-dione.
Chemical Property Profile of (4S,4aS)-7-benzyl-4-(benzylideneamino)-4-methyl-4aH-2,7-naphthyridine-1,3-dione
Property Insights of (4S,4aS)-7-benzyl-4-(benzylideneamino)-4-methyl-4aH-2,7-naphthyridine-1,3-dione
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4S,4aS)-7-benzyl-4-(benzylideneamino)-4-methyl-4aH-2,7-naphthyridine-1,3-dione. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (4S,4aS)-7-benzyl-4-(benzylideneamino)-4-methyl-4aH-2,7-naphthyridine-1,3-dione. Following Lipinski's Rule of Five, (4S,4aS)-7-benzyl-4-(benzylideneamino)-4-methyl-4aH-2,7-naphthyridine-1,3-dione has 1 hydrogen bond donor(s) and 4 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 (4S,4aS)-7-benzyl-4-(benzylideneamino)-4-methyl-4aH-2,7-naphthyridine-1,3-dione?
The CAS number of (4S,4aS)-7-benzyl-4-(benzylideneamino)-4-methyl-4aH-2,7-naphthyridine-1,3-dione is 85313-11-7.
What is the molecular formula of (4S,4aS)-7-benzyl-4-(benzylideneamino)-4-methyl-4aH-2,7-naphthyridine-1,3-dione?
The molecular formula of (4S,4aS)-7-benzyl-4-(benzylideneamino)-4-methyl-4aH-2,7-naphthyridine-1,3-dione is C23H21N3O2.
What is the molecular weight of (4S,4aS)-7-benzyl-4-(benzylideneamino)-4-methyl-4aH-2,7-naphthyridine-1,3-dione?
The molecular weight of (4S,4aS)-7-benzyl-4-(benzylideneamino)-4-methyl-4aH-2,7-naphthyridine-1,3-dione is 371.16 g/mol.
Where can I buy (4S,4aS)-7-benzyl-4-(benzylideneamino)-4-methyl-4aH-2,7-naphthyridine-1,3-dione?
You can request a quote for (4S,4aS)-7-benzyl-4-(benzylideneamino)-4-methyl-4aH-2,7-naphthyridine-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4S,4aS)-7-benzyl-4-(benzylideneamino)-4-methyl-4aH-2,7-naphthyridine-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for (4S,4aS)-7-benzyl-4-(benzylideneamino)-4-methyl-4aH-2,7-naphthyridine-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.