Duocarmycin
TL;DR: Duocarmycin (CAS 118072-93-8) is a chemical compound with molecular formula C26H27N3O8 and molecular weight 509.1798 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-hydroxy-2,8-dimethyl-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, Zoledronic acid, Phosphonic acid, P,P'-[1-hydroxy-2-(1H-imidazol-1-yl)ethylidene]bis-, methyl 4-hydroxy-2,8-dimethyl-1-oxo-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate, methyl 4-hydroxy-2,8-dimethyl-1-oxo-6-[(5,6,7-trimethoxy-1H-indol-2-yl)carbonyl]-1,2,3,6,7,8-hexahydropyrrolo[3,2-e]indole-2-carboxylate
Technical Specifications
| Molecular Formula | C26H27N3O8 |
| Molecular Weight | 509.1798 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 139.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 509.1798 Da |
| Heavy Atoms | 37 |
| Complexity | 933.0 |
| SMILES | CC1CN(C2=CC(=C3C(=C12)C(=O)C(N3)(C)C(=O)OC)O)C(=O)C4=CC5=CC(=C(C(=C5N4)OC)OC)OC |
| InChIKey | WQAYQZWERWNDPV-UHFFFAOYSA-N |
Chemical Property Profile of Duocarmycin
Property Insights of Duocarmycin
The XLogP value of 3.2 indicates that Duocarmycin 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. Following Lipinski's Rule of Five, Duocarmycin 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?
The CAS number of Duocarmycin is 118072-93-8.
What is the molecular formula of Duocarmycin?
The molecular formula of Duocarmycin is C26H27N3O8.
What is the molecular weight of Duocarmycin?
The molecular weight of Duocarmycin is 509.1798 g/mol.
Where can I buy Duocarmycin?
You can request a quote for Duocarmycin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Duocarmycin?
Yes, CoreyChem provides custom synthesis services for Duocarmycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.