Leptine I
TL;DR: Leptine I (CAS 101030-83-5) is a chemical compound with molecular formula C47H75NO16 and molecular weight 909.51 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[7-[4-hydroxy-6-(hydroxymethyl)-3,5-bis[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-18-yl] acetate
Also Known As: Leptine I, Leptin I, Leptine I, from Solanum chacoense, Leptine 1, [7-[4-hydroxy-6-(hydroxymethyl)-3,5-bis[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-18-yl] acetate
| Molecular Formula | C47H75NO16 |
|---|---|
| Molecular Weight | 909.51 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 247.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 9 |
| Exact Mass | 909.5086 |
| Heavy Atoms | 64 |
| Complexity | 1720.0 |
Chemical Identifiers
| CAS Number | 101030-83-5 |
|---|---|
| SMILES | CC1CC(C2C(C3C(N2C1)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)OC(=O)C |
| InChIKey | XMZHRQCSOUZPRM-UHFFFAOYSA-N |
Product Overview
Leptine I (CAS 101030-83-5), with molecular formula C47H75NO16 and molecular weight 909.51 g/mol. IUPAC: [7-[4-hydroxy-6-(hydroxymethyl)-3,5-bis[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-18-yl] acetate.
Chemical Property Profile of Leptine I
Property Insights of Leptine I
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Leptine I. The TPSA of 247.0 Ų indicates high polarity, suggesting Leptine I may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Leptine I has 8 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Leptine I?
The CAS number of Leptine I is 101030-83-5.
What is the molecular formula of Leptine I?
The molecular formula of Leptine I is C47H75NO16.
What is the molecular weight of Leptine I?
The molecular weight of Leptine I is 909.51 g/mol.
Where can I buy Leptine I?
You can request a quote for Leptine I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Leptine I?
Yes, KEHONG BIO provides custom synthesis services for Leptine I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.