Dehydrolasiocarpine
TL;DR: Dehydrolasiocarpine (CAS 23092-98-0) is a chemical compound with molecular formula C21H31NO7 and molecular weight 409.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(7S)-7-[(E)-2-methylbut-2-enoyl]oxy-6,7-dihydro-5H-pyrrolizin-1-yl]methyl (2R)-2,3-dihydroxy-2-[(1S)-1-methoxyethyl]-3-methylbutanoate
Also Known As: Dehydrolasiocarpine, Lasiocarpine, didehydro-, [(7S)-7-[(E)-2-methylbut-2-enoyl]oxy-6,7-dihydro-5H-pyrrolizin-1-yl]methyl (2R)-2,3-dihydroxy-2-[(1S)-1-methoxyethyl]-3-methylbutanoate, 2-Butenoic acid, 2-methyl-, 7-((2,3-dihydroxy-2-(1-methoxyethyl)-3-methyl-1-oxobutoxy)methyl)-2,3-dihydro-1H-pyrrolizin-1-yl ester, (1S-(1-alpha(Z),7(S*(R*))))-, 2-Butenoic acid, 2-methyl-, 7-[[2,3-dihydroxy-2-(1-methoxyethyl)-3-methyl-1-oxobutoxy]methyl]-2,3-dihydro-1H-pyrrolizin-1-yl ester, [1S-[1.alpha.(Z),7(2S*,3R*)]]-
| Molecular Formula | C21H31NO7 |
|---|---|
| Molecular Weight | 409.21 g/mol |
| LogP | 2.0224 |
| Topological Polar Surface Area | 107.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 409.21005 |
| Heavy Atoms | 29 |
| Complexity | 789.44055 |
Chemical Identifiers
| CAS Number | 23092-98-0 |
|---|---|
| SMILES | C/C=C(\C)/C(=O)O[C@H]1CCN2C1=C(C=C2)COC(=O)[C@@]([C@H](C)OC)(C(C)(C)O)O |
Product Overview
Dehydrolasiocarpine (CAS 23092-98-0), with molecular formula C21H31NO7 and molecular weight 409.21 g/mol. IUPAC: [(7S)-7-[(E)-2-methylbut-2-enoyl]oxy-6,7-dihydro-5H-pyrrolizin-1-yl]methyl (2R)-2,3-dihydroxy-2-[(1S)-1-methoxyethyl]-3-methylbutanoate.
Chemical Property Profile of Dehydrolasiocarpine
Property Insights of Dehydrolasiocarpine
The XLogP value of 2.0224 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dehydrolasiocarpine. The TPSA of 107.22 Ų falls within the moderate polarity range, balancing permeability and solubility for Dehydrolasiocarpine. Following Lipinski's Rule of Five, Dehydrolasiocarpine has 2 hydrogen bond donor(s) and 7 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 Dehydrolasiocarpine?
The CAS number of Dehydrolasiocarpine is 23092-98-0.
What is the molecular formula of Dehydrolasiocarpine?
The molecular formula of Dehydrolasiocarpine is C21H31NO7.
What is the molecular weight of Dehydrolasiocarpine?
The molecular weight of Dehydrolasiocarpine is 409.21 g/mol.
Where can I buy Dehydrolasiocarpine?
You can request a quote for Dehydrolasiocarpine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dehydrolasiocarpine?
Yes, KEHONG BIO provides custom synthesis services for Dehydrolasiocarpine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.