Compound 34
TL;DR: Compound 34 (CAS 564462-36-8) is a chemical compound with molecular formula C31H24F3N3O3 and molecular weight 543.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R)-3-(3,4-difluorophenyl)-2-(4-fluorophenyl)-4-hydroxy-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]butanamide
Also Known As: Compound 34, (R)-roscovitine, A-secretase-IN-2
| Molecular Formula | C31H24F3N3O3 |
|---|---|
| Molecular Weight | 543.18 g/mol |
| LogP | 4.8956 |
| Topological Polar Surface Area | 90.79 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 543.177 |
| Heavy Atoms | 40 |
| Complexity | 1576.0193 |
Chemical Identifiers
| CAS Number | 564462-36-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=N[C@@H](C(=O)NC3=CC=CC=C32)NC(=O)[C@H](C4=CC=C(C=C4)F)[C@@H](CO)C5=CC(=C(C=C5)F)F |
Product Overview
Compound 34 (CAS 564462-36-8), with molecular formula C31H24F3N3O3 and molecular weight 543.18 g/mol. IUPAC: (2S,3R)-3-(3,4-difluorophenyl)-2-(4-fluorophenyl)-4-hydroxy-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]butanamide.
Chemical Property Profile of Compound 34
Property Insights of Compound 34
The XLogP value of 4.8956 indicates that Compound 34 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.79 Ų falls within the moderate polarity range, balancing permeability and solubility for Compound 34. Following Lipinski's Rule of Five, Compound 34 has 3 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 Compound 34?
The CAS number of Compound 34 is 564462-36-8.
What is the molecular formula of Compound 34?
The molecular formula of Compound 34 is C31H24F3N3O3.
What is the molecular weight of Compound 34?
The molecular weight of Compound 34 is 543.18 g/mol.
Where can I buy Compound 34?
You can request a quote for Compound 34 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Compound 34?
Yes, KEHONG BIO provides custom synthesis services for Compound 34 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.