Grisellimycin
TL;DR: Grisellimycin (CAS 26034-16-2) is a chemical compound with molecular formula C57H96N10O12 and molecular weight 1112.72 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R)-1-[(2S)-2-[acetyl(methyl)amino]-3-methylbutanoyl]-N,4-dimethyl-N-[(3R,6S,9R,11R,15S,18S,19R,25R,28S)-6,15,25-tri(butan-2-yl)-4,11,19,26-tetramethyl-2,5,8,14,17,21,24,27-octaoxo-3-propan-2-yl-20-oxa-1,4,7,13,16,23,26-heptazatricyclo[26.3.0.09,13]hentriacontan-18-yl]pyrrolidine-2-carboxamide
Also Known As: Grisellimycin, Griselimycin, Grizelimycin, Grisellimycin B, GRISELIMYCINE
| Molecular Formula | C57H96N10O12 |
|---|---|
| Molecular Weight | 1112.72 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 256.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 12 |
| Exact Mass | 1112.721 |
| Heavy Atoms | 79 |
| Complexity | 2260.0 |
Chemical Identifiers
| CAS Number | 26034-16-2 |
|---|---|
| SMILES | CCC(C)[C@H]1C(=O)N([C@@H](C(=O)N2CCC[C@H]2C(=O)N([C@@H](C(=O)NCC(=O)O[C@@H]([C@@H](C(=O)N[C@H](C(=O)N3C[C@@H](C[C@@H]3C(=O)N1)C)C(C)CC)N(C)C(=O)C4C[C@H](CN4C(=O)[C@H](C(C)C)N(C)C(=O)C)C)C)C(C)CC)C)C(C)C)C |
| InChIKey | BVCBJSHZCAWDPE-RENOUVQNSA-N |
Product Overview
Grisellimycin (CAS 26034-16-2), with molecular formula C57H96N10O12 and molecular weight 1112.72 g/mol. IUPAC: (4R)-1-[(2S)-2-[acetyl(methyl)amino]-3-methylbutanoyl]-N,4-dimethyl-N-[(3R,6S,9R,11R,15S,18S,19R,25R,28S)-6,15,25-tri(butan-2-yl)-4,11,19,26-tetramethyl-2,5,8,14,17,21,24,27-octaoxo-3-propan-2-yl-20-oxa-1,4,7,13,16,23,26-heptazatricyclo[26.3.0.09,13]hentriacontan-18-yl]pyrrolidine-2-carboxamide.
Chemical Property Profile of Grisellimycin
Property Insights of Grisellimycin
The XLogP value of 5.4 indicates that Grisellimycin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 256.0 Ų indicates high polarity, suggesting Grisellimycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Grisellimycin has 3 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 Grisellimycin?
The CAS number of Grisellimycin is 26034-16-2.
What is the molecular formula of Grisellimycin?
The molecular formula of Grisellimycin is C57H96N10O12.
What is the molecular weight of Grisellimycin?
The molecular weight of Grisellimycin is 1112.72 g/mol.
Where can I buy Grisellimycin?
You can request a quote for Grisellimycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Grisellimycin?
Yes, KEHONG BIO provides custom synthesis services for Grisellimycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.