Elisidepsin
TL;DR: Elisidepsin (CAS 681272-30-0) is a chemical compound with molecular formula C75H124N14O16 and molecular weight 1476.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-N-[(2S)-5-amino-1-[[(2R,3S)-1-[[(3S,6Z,9S,12R,15R,18R,19R)-9-benzyl-15-[(2S)-butan-2-yl]-6-ethylidene-19-methyl-2,5,8,11,14,17-hexaoxo-3,12-di(propan-2-yl)-1-oxa-4,7,10,13,16-pentazacyclononadec-18-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]-1-[(2R)-2-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[(2R)-3-methyl-2-[[(4S)-4-methylhexanoyl]amino]butanoyl]amino]butanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxamide
Also Known As: Elisidepsin, Irvalec, Elisidepsin [INN], elisidepsina, elisidepsine
| Molecular Formula | C75H124N14O16 |
|---|---|
| Molecular Weight | 1476.93 g/mol |
| LogP | 1.8364 |
| Topological Polar Surface Area | 442.06 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 33 |
| Exact Mass | 1476.932 |
| Heavy Atoms | 105 |
| Complexity | 3161.9426 |
Chemical Identifiers
| CAS Number | 681272-30-0 |
|---|---|
| SMILES | CC[C@H](C)CCC(=O)N[C@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCN)C(=O)N[C@H]([C@@H](C)CC)C(=O)N[C@@H]2[C@H](OC(=O)[C@@H](NC(=O)/C(=C/C)/NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC2=O)[C@@H](C)CC)C(C)C)CC3=CC=CC=C3)C(C)C)C |
Product Overview
Elisidepsin (CAS 681272-30-0), with molecular formula C75H124N14O16 and molecular weight 1476.93 g/mol. IUPAC: (2R)-N-[(2S)-5-amino-1-[[(2R,3S)-1-[[(3S,6Z,9S,12R,15R,18R,19R)-9-benzyl-15-[(2S)-butan-2-yl]-6-ethylidene-19-methyl-2,5,8,11,14,17-hexaoxo-3,12-di(propan-2-yl)-1-oxa-4,7,10,13,16-pentazacyclononadec-18-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]-1-[(2R)-2-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[(2R)-3-methyl-2-[[(4S)-4-methylhexanoyl]amino]butanoyl]amino]butanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxamide.
Chemical Property Profile of Elisidepsin
Property Insights of Elisidepsin
The XLogP value of 1.8364 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Elisidepsin. The TPSA of 442.06 Ų indicates high polarity, suggesting Elisidepsin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Elisidepsin has 14 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 Elisidepsin?
The CAS number of Elisidepsin is 681272-30-0.
What is the molecular formula of Elisidepsin?
The molecular formula of Elisidepsin is C75H124N14O16.
What is the molecular weight of Elisidepsin?
The molecular weight of Elisidepsin is 1476.93 g/mol.
Where can I buy Elisidepsin?
You can request a quote for Elisidepsin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Elisidepsin?
Yes, KEHONG BIO provides custom synthesis services for Elisidepsin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.