Lyngbyastatin 1
TL;DR: Lyngbyastatin 1 (CAS 213530-40-6) is a chemical compound with molecular formula C51H82N8O12 and molecular weight 998.61 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butan-2-yl-28-ethyl-17-[(4-methoxyphenyl)methyl]-7,13,16,20,22,22,24,25,29-nonamethyl-8-(2-methylpropyl)-14-propan-2-yl-1-oxa-4,7,10,13,16,19,24,27-octazacyclotriacontane-3,6,9,12,15,18,21,23,26,30-decone
Also Known As: Lyngbyastatin 1, 2-butan-2-yl-28-ethyl-17-[(4-methoxyphenyl)methyl]-7,13,16,20,22,22,24,25,29-nonamethyl-8-(2-methylpropyl)-14-propan-2-yl-1-oxa-4,7,10,13,16,19,24,27-octazacyclotriacontane-3,6,9,12,15,18,21,23,26,30-decone
| Molecular Formula | C51H82N8O12 |
|---|---|
| Molecular Weight | 998.61 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 250.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Exact Mass | 998.6052 |
| Heavy Atoms | 71 |
| Complexity | 1900.0 |
Chemical Identifiers
| CAS Number | 213530-40-6 |
|---|---|
| SMILES | CCC1C(C(=O)OC(C(=O)NCC(=O)N(C(C(=O)NCC(=O)N(C(C(=O)N(C(C(=O)NC(C(=O)C(C(=O)N(C(C(=O)N1)C)C)(C)C)C)CC2=CC=C(C=C2)OC)C)C(C)C)C)CC(C)C)C)C(C)CC)C |
| InChIKey | MKKWMLGEOYGWEO-UHFFFAOYSA-N |
Product Overview
Lyngbyastatin 1 (CAS 213530-40-6), with molecular formula C51H82N8O12 and molecular weight 998.61 g/mol. IUPAC: 2-butan-2-yl-28-ethyl-17-[(4-methoxyphenyl)methyl]-7,13,16,20,22,22,24,25,29-nonamethyl-8-(2-methylpropyl)-14-propan-2-yl-1-oxa-4,7,10,13,16,19,24,27-octazacyclotriacontane-3,6,9,12,15,18,21,23,26,30-decone.
Chemical Property Profile of Lyngbyastatin 1
Property Insights of Lyngbyastatin 1
The XLogP value of 5.3 indicates that Lyngbyastatin 1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 250.0 Ų indicates high polarity, suggesting Lyngbyastatin 1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Lyngbyastatin 1 has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Lyngbyastatin 1?
The CAS number of Lyngbyastatin 1 is 213530-40-6.
What is the molecular formula of Lyngbyastatin 1?
The molecular formula of Lyngbyastatin 1 is C51H82N8O12.
What is the molecular weight of Lyngbyastatin 1?
The molecular weight of Lyngbyastatin 1 is 998.61 g/mol.
Where can I buy Lyngbyastatin 1?
You can request a quote for Lyngbyastatin 1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lyngbyastatin 1?
Yes, KEHONG BIO provides custom synthesis services for Lyngbyastatin 1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.