Didemnin A
TL;DR: Didemnin A (CAS 16136-66-6) is a chemical compound with molecular formula C49H78N6O12 and molecular weight 942.57 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-N-[(3S,6S,8S,12S,13R,16S,17R,20S,23S)-13-[(2S)-butan-2-yl]-12-hydroxy-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3-(2-methylpropyl)-2,5,7,10,15,19,22-heptaoxo-8-propan-2-yl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan-16-yl]-4-methyl-2-(methylamino)pentanamide
Also Known As: Didemnin A, didemnins, Oncoprecipitin A, Didemnin D, Didemnin E
| Molecular Formula | C49H78N6O12 |
|---|---|
| Molecular Weight | 942.57 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 239.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 13 |
| Exact Mass | 942.56775 |
| Heavy Atoms | 67 |
| Complexity | 1700.0 |
Chemical Identifiers
| CAS Number | 16136-66-6 |
|---|---|
| SMILES | CC[C@H](C)[C@@H]1[C@H](CC(=O)O[C@H](C(=O)[C@@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)O[C@@H]([C@@H](C(=O)N1)NC(=O)[C@@H](CC(C)C)NC)C)CC3=CC=C(C=C3)OC)C)CC(C)C)C)C(C)C)O |
| InChIKey | XQZOGOCTPKFYKC-VSZULPIASA-N |
Product Overview
Didemnin A (CAS 16136-66-6), with molecular formula C49H78N6O12 and molecular weight 942.57 g/mol. IUPAC: (2R)-N-[(3S,6S,8S,12S,13R,16S,17R,20S,23S)-13-[(2S)-butan-2-yl]-12-hydroxy-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3-(2-methylpropyl)-2,5,7,10,15,19,22-heptaoxo-8-propan-2-yl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan-16-yl]-4-methyl-2-(methylamino)pentanamide.
Chemical Property Profile of Didemnin A
Property Insights of Didemnin A
The XLogP value of 5.8 indicates that Didemnin A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 239.0 Ų indicates high polarity, suggesting Didemnin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Didemnin A has 5 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 Didemnin A?
The CAS number of Didemnin A is 16136-66-6.
What is the molecular formula of Didemnin A?
The molecular formula of Didemnin A is C49H78N6O12.
What is the molecular weight of Didemnin A?
The molecular weight of Didemnin A is 942.57 g/mol.
Where can I buy Didemnin A?
You can request a quote for Didemnin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Didemnin A?
Yes, KEHONG BIO provides custom synthesis services for Didemnin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.