A1285/0058610
TL;DR: A1285/0058610 (CAS 295779-57-6) is a chemical compound with molecular formula C29H25N3O and molecular weight 431.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,10bS)-3-(2,2-dimethylpropanoyl)-2-naphthalen-1-yl-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile
Also Known As: A1285/0058610, (2R,3R,10BS)-1-CYANO-3-(2,2-DIMETHYLPROPANOYL)-2-(1-NAPHTHYL)-2,3-DIHYDROPYRROLO[2,1-A]ISOQUINOLIN-1(10BH)-YL CYANIDE, (2R,3R,10bS)-2-(naphthalen-1-yl)-3-pivaloyl-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile, (2R,3R,10bS)-3-(2,2-dimethylpropanoyl)-2-(naphthalen-1-yl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile, (2R,3R,10bS)-3-(2,2-dimethylpropanoyl)-2-naphthalen-1-yl-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile
| Molecular Formula | C29H25N3O |
|---|---|
| Molecular Weight | 431.20 g/mol |
| LogP | 5.98196 |
| Topological Polar Surface Area | 67.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 431.19977 |
| Heavy Atoms | 33 |
| Complexity | 1362.9729 |
Chemical Identifiers
| CAS Number | 295779-57-6 |
|---|---|
| SMILES | CC(C)(C)C(=O)[C@H]1[C@@H](C([C@H]2N1C=CC3=CC=CC=C23)(C#N)C#N)C4=CC=CC5=CC=CC=C54 |
Product Overview
A1285/0058610 (CAS 295779-57-6), with molecular formula C29H25N3O and molecular weight 431.20 g/mol. IUPAC: (2R,3R,10bS)-3-(2,2-dimethylpropanoyl)-2-naphthalen-1-yl-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile.
Chemical Property Profile of A1285/0058610
Property Insights of A1285/0058610
The XLogP value of 5.98196 indicates that A1285/0058610 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.89 Ų falls within the moderate polarity range, balancing permeability and solubility for A1285/0058610. Following Lipinski's Rule of Five, A1285/0058610 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A1285/0058610?
The CAS number of A1285/0058610 is 295779-57-6.
What is the molecular formula of A1285/0058610?
The molecular formula of A1285/0058610 is C29H25N3O.
What is the molecular weight of A1285/0058610?
The molecular weight of A1285/0058610 is 431.20 g/mol.
Where can I buy A1285/0058610?
You can request a quote for A1285/0058610 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1285/0058610?
Yes, KEHONG BIO provides custom synthesis services for A1285/0058610 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.