Duocarmycin B1
TL;DR: Duocarmycin B1 (CAS 124325-93-5) 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,7R,8S)-8-bromo-4-hydroxy-7-methyl-1-oxo-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-3,7,8,9-tetrahydro-2H-pyrrolo[3,2-f]quinoline-2-carboxylate
Also Known As: Duocarmycin B1, methyl (2R,7R,8S)-8-bromo-4-hydroxy-7-methyl-1-oxo-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-3,7,8,9-tetrahydro-2H-pyrrolo[3,2-f]quinoline-2-carboxylate, Methyl (2r,7r,8s)-8-bromo-4-hydroxy-7-methyl-1-oxo-6-(5,6,7-trimethoxy1H-indole-2-carbonyl)-3,7,8,9-tetrahydro-2H-pyrido[3,2-e]indole-2-carboxylate
Technical Specifications
| Molecular Formula | C26H26BrN3O8 |
| Molecular Weight | 587.09033 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 139.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 587.09033 Da |
| Heavy Atoms | 38 |
| Complexity | 940.0 |
| SMILES | C[C@@H]1[C@H](CC2=C3C(=O)[C@@H](NC3=C(C=C2N1C(=O)C4=CC5=CC(=C(C(=C5N4)OC)OC)OC)O)C(=O)OC)Br |
| InChIKey | WKGSUNULPYYBNC-JGMWFTNYSA-N |
Chemical Property Profile of Duocarmycin B1
Property Insights of Duocarmycin B1
The XLogP value of 3.9 indicates that Duocarmycin B1 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 B1. Following Lipinski's Rule of Five, Duocarmycin B1 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 B1?
The CAS number of Duocarmycin B1 is 124325-93-5.
What is the molecular formula of Duocarmycin B1?
The molecular formula of Duocarmycin B1 is C26H26BrN3O8.
What is the molecular weight of Duocarmycin B1?
The molecular weight of Duocarmycin B1 is 587.09033 g/mol.
Where can I buy Duocarmycin B1?
You can request a quote for Duocarmycin B1 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Duocarmycin B1?
Yes, CoreyChem provides custom synthesis services for Duocarmycin B1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.