2,4,5-Trideoxy-4,5-epithio-L-erythro-pentononitrile
TL;DR: 2,4,5-Trideoxy-4,5-epithio-L-erythro-pentononitrile (CAS 18650-85-6) is a chemical compound with molecular formula C5H7NOS and molecular weight 129.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R)-3-hydroxy-3-[(2R)-thiiran-2-yl]propanenitrile
Also Known As: KST-1A5907, (R*,R*)-beta-Hydroxythiiranepropanenitrile, erythro-4,5-Epithio-3-hydroxyvaleronitrile, erythro-1-Cyano-2-hydroxy-3,4-epithiobutane, Thiiranepropanenitrile, beta-hydroxy-, (R*,R*)-
| Molecular Formula | C5H7NOS |
|---|---|
| Molecular Weight | 129.02 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 69.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 129.02484 |
| Heavy Atoms | 8 |
| Complexity | 128.0 |
Chemical Identifiers
| CAS Number | 18650-85-6 |
|---|---|
| SMILES | C1[C@H](S1)[C@@H](CC#N)O |
| InChIKey | YHHMEZJFUCZIOV-UHNVWZDZSA-N |
Product Overview
2,4,5-Trideoxy-4,5-epithio-L-erythro-pentononitrile (CAS 18650-85-6), with molecular formula C5H7NOS and molecular weight 129.02 g/mol. IUPAC: (3R)-3-hydroxy-3-[(2R)-thiiran-2-yl]propanenitrile.
Chemical Property Profile of 2,4,5-Trideoxy-4,5-epithio-L-erythro-pentononitrile
Property Insights of 2,4,5-Trideoxy-4,5-epithio-L-erythro-pentononitrile
The XLogP value of -0.2 indicates that 2,4,5-Trideoxy-4,5-epithio-L-erythro-pentononitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 69.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4,5-Trideoxy-4,5-epithio-L-erythro-pentononitrile. Following Lipinski's Rule of Five, 2,4,5-Trideoxy-4,5-epithio-L-erythro-pentononitrile has 1 hydrogen bond donor(s) and 3 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 2,4,5-Trideoxy-4,5-epithio-L-erythro-pentononitrile?
The CAS number of 2,4,5-Trideoxy-4,5-epithio-L-erythro-pentononitrile is 18650-85-6.
What is the molecular formula of 2,4,5-Trideoxy-4,5-epithio-L-erythro-pentononitrile?
The molecular formula of 2,4,5-Trideoxy-4,5-epithio-L-erythro-pentononitrile is C5H7NOS.
What is the molecular weight of 2,4,5-Trideoxy-4,5-epithio-L-erythro-pentononitrile?
The molecular weight of 2,4,5-Trideoxy-4,5-epithio-L-erythro-pentononitrile is 129.02 g/mol.
Where can I buy 2,4,5-Trideoxy-4,5-epithio-L-erythro-pentononitrile?
You can request a quote for 2,4,5-Trideoxy-4,5-epithio-L-erythro-pentononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,5-Trideoxy-4,5-epithio-L-erythro-pentononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,4,5-Trideoxy-4,5-epithio-L-erythro-pentononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.