Ro31-8624
TL;DR: Ro31-8624 (CAS 29219-03-2) is a chemical compound with molecular formula C32H40N6O5S and molecular weight 620.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-N-[(2S,3R)-4-[(4R)-4-(tert-butylcarbamoyl)-1,3-thiazolidin-3-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide
Also Known As: Ro31-8624, Ro 31-8624, Butanediamide, N1-((1S,2R)-3-((4R)-4-(((1,1-dimethylethyl)amino)carbonyl)-3-thiazolidinyl)-2-hydroxy-1-(phenylmethyl)propyl)-2-((2-quinolinylcarbonyl)amino)-, (2S)-, n1-{(1s,2r)-1-benzyl-3-[(4r)-4-(tert-butylcarbamoyl)-1,3-thiazolidin-3-yl]-2-hydroxypropyl}-n2-(quinolin-2-ylcarbonyl)-l-aspartamide, (2S)-N-[(1S,2R)-1-benzyl-3-[(4R)-4-(tert-butylcarbamoyl)thiazolidin-3-yl]-2-hydroxy-propyl]-2-(quinoline-2-carbonylamino)butanediamide
| Molecular Formula | C32H40N6O5S |
|---|---|
| Molecular Weight | 620.28 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 192.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 620.2781 |
| Heavy Atoms | 44 |
| Complexity | 1000.0 |
Chemical Identifiers
| CAS Number | 29219-03-2 |
|---|---|
| SMILES | CC(C)(C)NC(=O)[C@@H]1CSCN1C[C@H]([C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(=O)N)NC(=O)C3=NC4=CC=CC=C4C=C3)O |
| InChIKey | AZQBIRIVFIRAHS-YIPNQBBMSA-N |
Product Overview
Ro31-8624 (CAS 29219-03-2), with molecular formula C32H40N6O5S and molecular weight 620.28 g/mol. IUPAC: (2S)-N-[(2S,3R)-4-[(4R)-4-(tert-butylcarbamoyl)-1,3-thiazolidin-3-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide.
Chemical Property Profile of Ro31-8624
Property Insights of Ro31-8624
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ro31-8624. The TPSA of 192.0 Ų indicates high polarity, suggesting Ro31-8624 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ro31-8624 has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ro31-8624?
The CAS number of Ro31-8624 is 29219-03-2.
What is the molecular formula of Ro31-8624?
The molecular formula of Ro31-8624 is C32H40N6O5S.
What is the molecular weight of Ro31-8624?
The molecular weight of Ro31-8624 is 620.28 g/mol.
Where can I buy Ro31-8624?
You can request a quote for Ro31-8624 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ro31-8624?
Yes, KEHONG BIO provides custom synthesis services for Ro31-8624 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.