(L-MeAbu5)nodularin
TL;DR: (L-MeAbu5)nodularin (CAS 146235-53-2) is a chemical compound with molecular formula C41H62N8O10 and molecular weight 826.46 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,9S)-2,9-diamino-5-[(2S,3R)-3-[[(2Z,4E,6E,8S,9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-2,4,6-trienoyl]-butanoylamino]-2-methyl-3-(methylamino)-4-oxobutyl]-5-(diaminomethylideneamino)-4,6-dioxodecanedioic acid
Also Known As: (L-MeAbu5)nodularin, Cyclo(N-methyl-L-2-aminobutanoyl-erythro-3-methyl-D-beta-aspartyl-L-arginyl-(2S,3S,4E,6E,8S,9S)-4,5,6,7-tetradehydro-9-methoxy-2,6,8-trimethyl-10-phenyl-3-aminodecanoyl-D-gamma-glutamyl), (2S,9S)-2,9-diamino-5-[(2S,3R)-3-[[(2Z,4E,6E,8S,9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-2,4,6-trienoyl]-butanoylamino]-2-methyl-3-(methylamino)-4-oxobutyl]-5-(diaminomethylideneamino)-4,6-dioxodecanedioic acid
| Molecular Formula | C41H62N8O10 |
|---|---|
| Molecular Weight | 826.46 g/mol |
| LogP | 1.056 |
| Topological Polar Surface Area | 326.91 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 26 |
| Exact Mass | 826.45886 |
| Heavy Atoms | 59 |
| Complexity | 1792.2523 |
Chemical Identifiers
| CAS Number | 146235-53-2 |
|---|---|
| SMILES | CCCC(=O)N(C(=O)/C(=C(/C=C/C(=C/[C@H](C)[C@H](CC1=CC=CC=C1)OC)/C)\N)/C)[C@@](C=O)([C@@H](C)CC(C(=O)CC[C@@H](C(=O)O)N)(C(=O)C[C@@H](C(=O)O)N)N=C(N)N)NC |
Product Overview
(L-MeAbu5)nodularin (CAS 146235-53-2), with molecular formula C41H62N8O10 and molecular weight 826.46 g/mol. IUPAC: (2S,9S)-2,9-diamino-5-[(2S,3R)-3-[[(2Z,4E,6E,8S,9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-2,4,6-trienoyl]-butanoylamino]-2-methyl-3-(methylamino)-4-oxobutyl]-5-(diaminomethylideneamino)-4,6-dioxodecanedioic acid.
Chemical Property Profile of (L-MeAbu5)nodularin
Property Insights of (L-MeAbu5)nodularin
The XLogP value of 1.056 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (L-MeAbu5)nodularin. The TPSA of 326.91 Ų indicates high polarity, suggesting (L-MeAbu5)nodularin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (L-MeAbu5)nodularin has 8 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (L-MeAbu5)nodularin?
The CAS number of (L-MeAbu5)nodularin is 146235-53-2.
What is the molecular formula of (L-MeAbu5)nodularin?
The molecular formula of (L-MeAbu5)nodularin is C41H62N8O10.
What is the molecular weight of (L-MeAbu5)nodularin?
The molecular weight of (L-MeAbu5)nodularin is 826.46 g/mol.
Where can I buy (L-MeAbu5)nodularin?
You can request a quote for (L-MeAbu5)nodularin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (L-MeAbu5)nodularin?
Yes, KEHONG BIO provides custom synthesis services for (L-MeAbu5)nodularin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.