KST-1A5955
TL;DR: KST-1A5955 (CAS 52162-76-2) is a chemical compound with molecular formula C18H25NO6S and molecular weight 383.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-amino-2-phenylacetic acid;[(1S,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonic acid
Also Known As: KST-1A5955, (2r)-amino(phenyl)ethanoic acid-[(1s,4s)-7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl]methanesulfonic acid(1:1), (2R)-2-amino-2-phenylacetic acid; [(1S,4S)-7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl]methanesulfonic acid
| Molecular Formula | C18H25NO6S |
|---|---|
| Molecular Weight | 383.14 g/mol |
| LogP | 2.0406 |
| Topological Polar Surface Area | 134.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 383.14026 |
| Heavy Atoms | 26 |
| Complexity | 789.1592 |
Chemical Identifiers
| CAS Number | 52162-76-2 |
|---|---|
| SMILES | CC1([C@H]2CC[C@]1(C(=O)C2)CS(=O)(=O)O)C.C1=CC=C(C=C1)[C@H](C(=O)O)N |
Product Overview
KST-1A5955 (CAS 52162-76-2), with molecular formula C18H25NO6S and molecular weight 383.14 g/mol. IUPAC: (2R)-2-amino-2-phenylacetic acid;[(1S,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonic acid.
Chemical Property Profile of KST-1A5955
Property Insights of KST-1A5955
The XLogP value of 2.0406 suggests moderate lipophilicity, balancing water solubility and membrane permeability for KST-1A5955. The TPSA of 134.76 Ų falls within the moderate polarity range, balancing permeability and solubility for KST-1A5955. Following Lipinski's Rule of Five, KST-1A5955 has 3 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 KST-1A5955?
The CAS number of KST-1A5955 is 52162-76-2.
What is the molecular formula of KST-1A5955?
The molecular formula of KST-1A5955 is C18H25NO6S.
What is the molecular weight of KST-1A5955?
The molecular weight of KST-1A5955 is 383.14 g/mol.
Where can I buy KST-1A5955?
You can request a quote for KST-1A5955 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1A5955?
Yes, KEHONG BIO provides custom synthesis services for KST-1A5955 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.