Danosteine
TL;DR: Danosteine (CAS 4938-00-5) is a chemical compound with molecular formula C5H8O4S and molecular weight 164.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(carboxymethylsulfanyl)propanoic acid
Also Known As: Danosteine, Danosteina, Danosteinum, Danosteine [INN], 3-Thiaadipinsaeure
| Molecular Formula | C5H8O4S |
|---|---|
| Molecular Weight | 164.01 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 99.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 164.01433 |
| Heavy Atoms | 10 |
| Complexity | 134.0 |
Chemical Identifiers
| CAS Number | 4938-00-5 |
|---|---|
| SMILES | C(CSCC(=O)O)C(=O)O |
| InChIKey | MLLYDWHLZFTQBY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Danosteine (CAS 4938-00-5), with molecular formula C5H8O4S and molecular weight 164.01 g/mol. IUPAC: 3-(carboxymethylsulfanyl)propanoic acid.
Chemical Property Profile of Danosteine
Property Insights of Danosteine
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Danosteine. The TPSA of 99.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Danosteine. Following Lipinski's Rule of Five, Danosteine has 2 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 Danosteine?
The CAS number of Danosteine is 4938-00-5.
What is the molecular formula of Danosteine?
The molecular formula of Danosteine is C5H8O4S.
What is the molecular weight of Danosteine?
The molecular weight of Danosteine is 164.01 g/mol.
Where can I buy Danosteine?
You can request a quote for Danosteine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Danosteine?
Yes, KEHONG BIO provides custom synthesis services for Danosteine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.