仰卧天芥菜次碱
TL;DR: 仰卧天芥菜次碱 (CAS 551-58-6) is a chemical compound with molecular formula C15H25NO4 and molecular weight 283.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
仰卧天芥菜次碱
[(8S)-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-2-[(1R)-1-hydroxyethyl]-3-methylbutanoate
Also Known As: Supinine, Supinin, Spinin, Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, ((7aS)-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester, (2S,3R)-, Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester, (7aS-(7(2R*,3S*),7aR*))-
| Molecular Formula | C15H25NO4 |
|---|---|
| Molecular Weight | 283.18 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 70.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 283.17834 |
| Heavy Atoms | 20 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 551-58-6 |
|---|---|
| SMILES | C[C@H]([C@@](C(C)C)(C(=O)OCC1=CCN2[C@H]1CCC2)O)O |
| InChIKey | DRVWTOSBCBKXOR-ZLDLUXBVSA-N |
Product Overview
仰卧天芥菜次碱 (CAS 551-58-6), with molecular formula C15H25NO4 and molecular weight 283.18 g/mol. IUPAC: [(8S)-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-2-[(1R)-1-hydroxyethyl]-3-methylbutanoate.
Chemical Property Profile of 仰卧天芥菜次碱
Property Insights of 仰卧天芥菜次碱
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 仰卧天芥菜次碱. The TPSA of 70.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 仰卧天芥菜次碱. Following Lipinski's Rule of Five, 仰卧天芥菜次碱 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 仰卧天芥菜次碱?
The CAS number of 仰卧天芥菜次碱 is 551-58-6.
What is the molecular formula of 仰卧天芥菜次碱?
The molecular formula of 仰卧天芥菜次碱 is C15H25NO4.
What is the molecular weight of 仰卧天芥菜次碱?
The molecular weight of 仰卧天芥菜次碱 is 283.18 g/mol.
Where can I buy 仰卧天芥菜次碱?
You can request a quote for 仰卧天芥菜次碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 仰卧天芥菜次碱?
Yes, KEHONG BIO provides custom synthesis services for 仰卧天芥菜次碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.