Duocarmycin B2
TL;DR: Duocarmycin B2 (CAS 124325-94-6) is a chemical compound with molecular formula C26H26BrN3O8 and molecular weight 587.09033 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (2R,8S)-8-(bromomethyl)-4-hydroxy-2-methyl-1-oxo-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate
Also Known As: Duocarmycin B2, DUMB2, DC89B2, DC-89B2, methyl (2R,8S)-8-(bromomethyl)-4-hydroxy-2-methyl-1-oxo-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate
Technical Specifications
| Molecular Formula | C26H26BrN3O8 |
| Molecular Weight | 587.09033 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 139.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 587.09033 Da |
| Heavy Atoms | 38 |
| Complexity | 955.0 |
| SMILES | C[C@@]1(C(=O)C2=C3[C@@H](CN(C3=CC(=C2N1)O)C(=O)C4=CC5=CC(=C(C(=C5N4)OC)OC)OC)CBr)C(=O)OC |
| InChIKey | UQPQXFUURNIVNJ-MZHQLVBMSA-N |
Chemical Property Profile of Duocarmycin B2
Property Insights of Duocarmycin B2
The XLogP value of 3.4 indicates that Duocarmycin B2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Duocarmycin B2. Following Lipinski's Rule of Five, Duocarmycin B2 has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Duocarmycin B2?
The CAS number of Duocarmycin B2 is 124325-94-6.
What is the molecular formula of Duocarmycin B2?
The molecular formula of Duocarmycin B2 is C26H26BrN3O8.
What is the molecular weight of Duocarmycin B2?
The molecular weight of Duocarmycin B2 is 587.09033 g/mol.
Where can I buy Duocarmycin B2?
You can request a quote for Duocarmycin B2 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Duocarmycin B2?
Yes, CoreyChem provides custom synthesis services for Duocarmycin B2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.