HY-U00346A
TL;DR: HY-U00346A (CAS 934687-52-2) is a chemical compound with molecular formula C17H24FN3O5S and molecular weight 401.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzenesulfonic acid;(2S,4S)-4-fluoro-1-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetyl]pyrrolidine-2-carbonitrile
Also Known As: HY-U00346A, (2S,4S)-4-fluoro-1-((1-hydroxy-2-methylpropan-2-yl)glycyl)pyrrolidine-2-carbonitrile benzenesulfonate, Benzenesulfonic acid;(2S,4S)-4-fluoro-1-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetyl]pyrrolidine-2-carbonitrile, (2S,4S)-4-fluoro-1-{[(2-hydroxy-1,1-dimethylethyl)amino]acetyl}pyrrolidine-2-carbonitrile monobenzenesulfonate
| Molecular Formula | C17H24FN3O5S |
|---|---|
| Molecular Weight | 401.14 g/mol |
| LogP | 0.74278 |
| Topological Polar Surface Area | 130.73 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.14206 |
| Heavy Atoms | 27 |
| Complexity | 764.5236 |
Chemical Identifiers
| CAS Number | 934687-52-2 |
|---|---|
| SMILES | CC(C)(CO)NCC(=O)N1C[C@H](C[C@H]1C#N)F.C1=CC=C(C=C1)S(=O)(=O)O |
Product Overview
HY-U00346A (CAS 934687-52-2), with molecular formula C17H24FN3O5S and molecular weight 401.14 g/mol. IUPAC: benzenesulfonic acid;(2S,4S)-4-fluoro-1-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetyl]pyrrolidine-2-carbonitrile.
Chemical Property Profile of HY-U00346A
Property Insights of HY-U00346A
The XLogP value of 0.74278 suggests moderate lipophilicity, balancing water solubility and membrane permeability for HY-U00346A. The TPSA of 130.73 Ų falls within the moderate polarity range, balancing permeability and solubility for HY-U00346A. Following Lipinski's Rule of Five, HY-U00346A has 3 hydrogen bond donor(s) and 6 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 HY-U00346A?
The CAS number of HY-U00346A is 934687-52-2.
What is the molecular formula of HY-U00346A?
The molecular formula of HY-U00346A is C17H24FN3O5S.
What is the molecular weight of HY-U00346A?
The molecular weight of HY-U00346A is 401.14 g/mol.
Where can I buy HY-U00346A?
You can request a quote for HY-U00346A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for HY-U00346A?
Yes, KEHONG BIO provides custom synthesis services for HY-U00346A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.