Dolastatin 12
TL;DR: Dolastatin 12 (CAS 122054-77-7) is a chemical compound with molecular formula C50H80N8O11 and molecular weight 968.59467 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(8S,14S,17S,20S,25S)-17-benzyl-2-butan-2-yl-28-ethyl-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: Dolastatin 12, Dolastatin 12 9, (8S,14S,17S,20S,25S)-17-benzyl-2-butan-2-yl-28-ethyl-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
Technical Specifications
| Molecular Formula | C50H80N8O11 |
| Molecular Weight | 968.59467 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 241.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 968.59467 Da |
| Heavy Atoms | 69 |
| Complexity | 1850.0 |
| SMILES | CCC1C(C(=O)OC(C(=O)NCC(=O)N([C@H](C(=O)NCC(=O)N([C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)C(C(=O)N([C@H](C(=O)N1)C)C)(C)C)C)CC2=CC=CC=C2)C)C(C)C)C)CC(C)C)C)C(C)CC)C |
| InChIKey | MLDFWFKDAWCBSV-RHXOOYMASA-N |
Chemical Property Profile of Dolastatin 12
Property Insights of Dolastatin 12
The XLogP value of 5.3 indicates that Dolastatin 12 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 241.0 Ų indicates high polarity, suggesting Dolastatin 12 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dolastatin 12 has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Dolastatin 12?
The CAS number of Dolastatin 12 is 122054-77-7.
What is the molecular formula of Dolastatin 12?
The molecular formula of Dolastatin 12 is C50H80N8O11.
What is the molecular weight of Dolastatin 12?
The molecular weight of Dolastatin 12 is 968.59467 g/mol.
Where can I buy Dolastatin 12?
You can request a quote for Dolastatin 12 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dolastatin 12?
Yes, CoreyChem provides custom synthesis services for Dolastatin 12 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.