7-desmethylmicrocystin LR
TL;DR: 7-desmethylmicrocystin LR (CAS 134842-07-2) is a chemical compound with molecular formula C48H72N10O12 and molecular weight 980.53 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5R,8R,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-5,12,19-trimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
Also Known As: 7-Desmethylmicrocystin LR,
| Molecular Formula | C48H72N10O12 |
|---|---|
| Molecular Weight | 980.53 g/mol |
| LogP | 0.2762 |
| Topological Polar Surface Area | 351.93 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 15 |
| Exact Mass | 980.53314 |
| Heavy Atoms | 70 |
| Complexity | 2123.7905 |
Chemical Identifiers
| CAS Number | 134842-07-2 |
|---|---|
| SMILES | C[C@H]1[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)C(=C)NC(=O)CC[C@@H](NC1=O)C(=O)O)C)CC(C)C)C(=O)O)C)CCCN=C(N)N)/C=C/C(=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)/C |
Product Overview
7-desmethylmicrocystin LR (CAS 134842-07-2), with molecular formula C48H72N10O12 and molecular weight 980.53 g/mol. IUPAC: (5R,8R,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-5,12,19-trimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid.
Chemical Property Profile of 7-desmethylmicrocystin LR
Property Insights of 7-desmethylmicrocystin LR
The XLogP value of 0.2762 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-desmethylmicrocystin LR. The TPSA of 351.93 Ų indicates high polarity, suggesting 7-desmethylmicrocystin LR may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7-desmethylmicrocystin LR has 11 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7-desmethylmicrocystin LR?
The CAS number of 7-desmethylmicrocystin LR is 134842-07-2.
What is the molecular formula of 7-desmethylmicrocystin LR?
The molecular formula of 7-desmethylmicrocystin LR is C48H72N10O12.
What is the molecular weight of 7-desmethylmicrocystin LR?
The molecular weight of 7-desmethylmicrocystin LR is 980.53 g/mol.
Where can I buy 7-desmethylmicrocystin LR?
You can request a quote for 7-desmethylmicrocystin LR directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-desmethylmicrocystin LR?
Yes, KEHONG BIO provides custom synthesis services for 7-desmethylmicrocystin LR and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.