Bauhinin
TL;DR: Bauhinin (CAS 100757-58-2) is a chemical compound with molecular formula C15H21NO8 and molecular weight 343.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4R,5S,6S)-5-hydroxy-4-methoxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohex-2-en-1-ylidene]acetonitrile
Also Known As: Bauhinin
| Molecular Formula | C15H21NO8 |
|---|---|
| Molecular Weight | 343.13 g/mol |
| LogP | -2.8 |
| Topological Polar Surface Area | 153.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 343.1267 |
| Heavy Atoms | 24 |
| Complexity | 541.0 |
Chemical Identifiers
| CAS Number | 100757-58-2 |
|---|---|
| SMILES | CO[C@@H]1C=CC(=CC#N)[C@@H]([C@H]1O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O |
| InChIKey | LZYYZVIACZQHFH-MZKUERFNSA-N |
Product Overview
Bauhinin (CAS 100757-58-2), with molecular formula C15H21NO8 and molecular weight 343.13 g/mol. IUPAC: 2-[(4R,5S,6S)-5-hydroxy-4-methoxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohex-2-en-1-ylidene]acetonitrile.
Chemical Property Profile of Bauhinin
Property Insights of Bauhinin
The XLogP value of -2.8 indicates that Bauhinin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 153.0 Ų indicates high polarity, suggesting Bauhinin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bauhinin has 5 hydrogen bond donor(s) and 9 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 Bauhinin?
The CAS number of Bauhinin is 100757-58-2.
What is the molecular formula of Bauhinin?
The molecular formula of Bauhinin is C15H21NO8.
What is the molecular weight of Bauhinin?
The molecular weight of Bauhinin is 343.13 g/mol.
Where can I buy Bauhinin?
You can request a quote for Bauhinin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bauhinin?
Yes, KEHONG BIO provides custom synthesis services for Bauhinin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.