Dehydrocrotanecine
TL;DR: Dehydrocrotanecine (CAS 125145-71-3) is a chemical compound with molecular formula C8H11NO3 and molecular weight 169.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R)-7-(hydroxymethyl)-2,3-dihydro-1H-pyrrolizine-1,2-diol
Also Known As: Dehydrocrotanecine, (1S,2R)-7-(hydroxymethyl)-2,3-dihydro-1H-pyrrolizine-1,2-diol, 7-(hydroxymethyl)-2,3-dihydro-1H-pyrrolizine-1,2-diol, (1R,2R)-7-(hydroxymethyl)-2,3-dihydro-1H-pyrrolizine-1,2-diol, (1s-cis)-2,3-dihydro-7-(hydroxymethyl)-1h-pyrrolizine-1,2-diol
| Molecular Formula | C8H11NO3 |
|---|---|
| Molecular Weight | 169.07 g/mol |
| LogP | -1.9 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 169.0739 |
| Heavy Atoms | 12 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 125145-71-3 |
|---|---|
| SMILES | C1[C@H]([C@H](C2=C(C=CN21)CO)O)O |
| InChIKey | XODKYKKKOFTDOE-HTRCEHHLSA-N |
Product Overview
Dehydrocrotanecine (CAS 125145-71-3), with molecular formula C8H11NO3 and molecular weight 169.07 g/mol. IUPAC: (1S,2R)-7-(hydroxymethyl)-2,3-dihydro-1H-pyrrolizine-1,2-diol.
Chemical Property Profile of Dehydrocrotanecine
Property Insights of Dehydrocrotanecine
The XLogP value of -1.9 indicates that Dehydrocrotanecine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Dehydrocrotanecine. Following Lipinski's Rule of Five, Dehydrocrotanecine has 3 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 Dehydrocrotanecine?
The CAS number of Dehydrocrotanecine is 125145-71-3.
What is the molecular formula of Dehydrocrotanecine?
The molecular formula of Dehydrocrotanecine is C8H11NO3.
What is the molecular weight of Dehydrocrotanecine?
The molecular weight of Dehydrocrotanecine is 169.07 g/mol.
Where can I buy Dehydrocrotanecine?
You can request a quote for Dehydrocrotanecine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dehydrocrotanecine?
Yes, KEHONG BIO provides custom synthesis services for Dehydrocrotanecine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.