Dehydroheliotrine
TL;DR: Dehydroheliotrine (CAS 23107-11-1) is a chemical compound with molecular formula C16H25NO5 and molecular weight 311.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(7S)-7-hydroxy-6,7-dihydro-5H-pyrrolizin-1-yl]methyl 2-hydroxy-2-(1-methoxyethyl)-3-methylbutanoate
Also Known As: Dehydroheliotrine, Dehydro-heliotrin, 3,8-Didehydroheliotrine, HELIOTRINE, 3,8-DIDEHYDRO-, (1-Hydroxy-2,3-dihydro-1H-pyrrolizin-7-yl)methyl 2-hydroxy-2-(1-methoxyethyl)-3-methylbutanoate
| Molecular Formula | C16H25NO5 |
|---|---|
| Molecular Weight | 311.17 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 311.17328 |
| Heavy Atoms | 22 |
| Complexity | 402.0 |
Chemical Identifiers
| CAS Number | 23107-11-1 |
|---|---|
| SMILES | CC(C)C(C(C)OC)(C(=O)OCC1=C2[C@H](CCN2C=C1)O)O |
| InChIKey | KYSOVPPHGLNVRV-ULKWEWGCSA-N |
Product Overview
Dehydroheliotrine (CAS 23107-11-1), with molecular formula C16H25NO5 and molecular weight 311.17 g/mol. IUPAC: [(7S)-7-hydroxy-6,7-dihydro-5H-pyrrolizin-1-yl]methyl 2-hydroxy-2-(1-methoxyethyl)-3-methylbutanoate.
Chemical Property Profile of Dehydroheliotrine
Property Insights of Dehydroheliotrine
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dehydroheliotrine. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Dehydroheliotrine. Following Lipinski's Rule of Five, Dehydroheliotrine 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 Dehydroheliotrine?
The CAS number of Dehydroheliotrine is 23107-11-1.
What is the molecular formula of Dehydroheliotrine?
The molecular formula of Dehydroheliotrine is C16H25NO5.
What is the molecular weight of Dehydroheliotrine?
The molecular weight of Dehydroheliotrine is 311.17 g/mol.
Where can I buy Dehydroheliotrine?
You can request a quote for Dehydroheliotrine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dehydroheliotrine?
Yes, KEHONG BIO provides custom synthesis services for Dehydroheliotrine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.