A1169/0054403
TL;DR: A1169/0054403 (CAS 293728-50-4) is a chemical compound with molecular formula C25H16FN3OS and molecular weight 425.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,10bS)-2-(4-fluorophenyl)-3-(thiophene-2-carbonyl)-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile
Also Known As: A1169/0054403, (10aS,8R,9R)-9-(4-fluorophenyl)-8-(2-thienylcarbonyl)-7,10a-dihydropyrrolidino [2,1-a]isoquinoline-10,10-dicarbonitrile, (2R,3R,10bS)-2-(4-fluorophenyl)-3-(thiophen-2-ylcarbonyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile, (2R,3R,10bS)-2-(4-fluorophenyl)-3-(thiophene-2-carbonyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile, (2R,3R,10bS)-2-(4-fluorophenyl)-3-(thiophene-2-carbonyl)-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile
| Molecular Formula | C25H16FN3OS |
|---|---|
| Molecular Weight | 425.10 g/mol |
| LogP | 5.29706 |
| Topological Polar Surface Area | 67.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 425.09982 |
| Heavy Atoms | 31 |
| Complexity | 1253.3411 |
Chemical Identifiers
| CAS Number | 293728-50-4 |
|---|---|
| SMILES | C1=CC=C2[C@H]3C([C@H]([C@@H](N3C=CC2=C1)C(=O)C4=CC=CS4)C5=CC=C(C=C5)F)(C#N)C#N |
Product Overview
A1169/0054403 (CAS 293728-50-4), with molecular formula C25H16FN3OS and molecular weight 425.10 g/mol. IUPAC: (2R,3R,10bS)-2-(4-fluorophenyl)-3-(thiophene-2-carbonyl)-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile.
Chemical Property Profile of A1169/0054403
Property Insights of A1169/0054403
The XLogP value of 5.29706 indicates that A1169/0054403 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 A1169/0054403. Following Lipinski's Rule of Five, A1169/0054403 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A1169/0054403?
The CAS number of A1169/0054403 is 293728-50-4.
What is the molecular formula of A1169/0054403?
The molecular formula of A1169/0054403 is C25H16FN3OS.
What is the molecular weight of A1169/0054403?
The molecular weight of A1169/0054403 is 425.10 g/mol.
Where can I buy A1169/0054403?
You can request a quote for A1169/0054403 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1169/0054403?
Yes, KEHONG BIO provides custom synthesis services for A1169/0054403 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.