ChemDiv1_027279
TL;DR: ChemDiv1_027279 (CAS 293728-67-3) is a chemical compound with molecular formula C23H21N3OS and molecular weight 387.14 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-thiophen-2-yl-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile
Also Known As: ChemDiv1_027279, A1171/0054445, (2R,3R,10BS)-1-CYANO-3-(2,2-DIMETHYLPROPANOYL)-2-(2-THIENYL)-2,3-DIHYDROPYRROLO[2,1-A]ISOQUINOLIN-1(10BH)-YL CYANIDE, (2R,3R,10bS)-3-(2,2-dimethylpropanoyl)-2-(thiophen-2-yl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile, (2R,3R,10bS)-3-(2,2-dimethylpropanoyl)-2-thiophen-2-yl-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile
| Molecular Formula | C23H21N3OS |
|---|---|
| Molecular Weight | 387.14 g/mol |
| LogP | 4.89026 |
| Topological Polar Surface Area | 67.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 387.14053 |
| Heavy Atoms | 28 |
| Complexity | 1019.0302 |
Chemical Identifiers
| CAS Number | 293728-67-3 |
|---|---|
| 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=CS4 |
Product Overview
ChemDiv1_027279 (CAS 293728-67-3), with molecular formula C23H21N3OS and molecular weight 387.14 g/mol. IUPAC: (2R,3R,10bS)-3-(2,2-dimethylpropanoyl)-2-thiophen-2-yl-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile.
Chemical Property Profile of ChemDiv1_027279
Property Insights of ChemDiv1_027279
The XLogP value of 4.89026 indicates that ChemDiv1_027279 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 ChemDiv1_027279. Following Lipinski's Rule of Five, ChemDiv1_027279 has 0 hydrogen bond donor(s) and 5 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 ChemDiv1_027279?
The CAS number of ChemDiv1_027279 is 293728-67-3.
What is the molecular formula of ChemDiv1_027279?
The molecular formula of ChemDiv1_027279 is C23H21N3OS.
What is the molecular weight of ChemDiv1_027279?
The molecular weight of ChemDiv1_027279 is 387.14 g/mol.
Where can I buy ChemDiv1_027279?
You can request a quote for ChemDiv1_027279 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_027279?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_027279 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.