Lasiocarpine hydrochloride
TL;DR: Lasiocarpine hydrochloride (CAS 1976-49-4) is a chemical compound with molecular formula C21H34ClNO7 and molecular weight 447.20 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-3,4,5,6,7,8-hexahydropyrrolizin-4-ium-1-yl]methyl 2,3-dihydroxy-2-[(1R)-1-methoxyethyl]-3-methylbutanoate chloride
Also Known As: Lasiocarpine hydrochloride, Lasiocarpine HCl, [(7S)-7-[(E)-2-methylbut-2-enoyl]oxy-3,4,5,6,7,8-hexahydropyrrolizin-4-ium-1-yl]methyl 2,3-dihydroxy-2-[(1R)-1-methoxyethyl]-3-methylbutanoate;chloride, 2-Butenoic acid, 2-methyl-, 7-((2,3-dihydroxy-2-(1-methoxyethyl)-3-methyl-1-oxobutoxy)methyl)-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl ester, hydrochloride, (1S-(1-alpha(Z),7(2S*,3R*)-7a-alpha))-, (1S)-7-[({2,3-dihydroxy-2-[(1R)-1-methoxyethyl]-3-methylbutanoyl}oxy)methyl]-1-{[(2E)-2-methylbut-2-enoyl]oxy}-2,3,5,7a-tetrahydro-1H-pyrrolizinium chloride (non-preferred name)
| Molecular Formula | C21H34ClNO7 |
|---|---|
| Molecular Weight | 447.20 g/mol |
| LogP | -3.4543 |
| Topological Polar Surface Area | 106.73 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 447.2024 |
| Heavy Atoms | 30 |
| Complexity | 699.9587 |
Chemical Identifiers
| CAS Number | 1976-49-4 |
|---|---|
| SMILES | C/C=C(\C)/C(=O)O[C@H]1CC[NH+]2C1C(=CC2)COC(=O)C([C@@H](C)OC)(C(C)(C)O)O.[Cl-] |
Product Overview
Lasiocarpine hydrochloride (CAS 1976-49-4), with molecular formula C21H34ClNO7 and molecular weight 447.20 g/mol. IUPAC: [(7S)-7-[(E)-2-methylbut-2-enoyl]oxy-3,4,5,6,7,8-hexahydropyrrolizin-4-ium-1-yl]methyl 2,3-dihydroxy-2-[(1R)-1-methoxyethyl]-3-methylbutanoate chloride.
Chemical Property Profile of Lasiocarpine hydrochloride
Property Insights of Lasiocarpine hydrochloride
The XLogP value of -3.4543 indicates that Lasiocarpine hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 106.73 Ų falls within the moderate polarity range, balancing permeability and solubility for Lasiocarpine hydrochloride. Following Lipinski's Rule of Five, Lasiocarpine hydrochloride has 3 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 Lasiocarpine hydrochloride?
The CAS number of Lasiocarpine hydrochloride is 1976-49-4.
What is the molecular formula of Lasiocarpine hydrochloride?
The molecular formula of Lasiocarpine hydrochloride is C21H34ClNO7.
What is the molecular weight of Lasiocarpine hydrochloride?
The molecular weight of Lasiocarpine hydrochloride is 447.20 g/mol.
Where can I buy Lasiocarpine hydrochloride?
You can request a quote for Lasiocarpine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lasiocarpine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Lasiocarpine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.