8-O-tert-butyldimethylsilylduocarmycin B2
TL;DR: 8-O-tert-butyldimethylsilylduocarmycin B2 (CAS 129953-15-7) is a chemical compound with molecular formula C32H40BrN3O8Si and molecular weight 701.1768 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (2R,8S)-8-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxy-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: 8-O-tert-butyldimethylsilylduocarmycin B2, Benzo(1,2-b:4,3-b')dipyrrole-2-carboxylic acid, 1,2,3,6,7,8-hexahydro-8-(bromomethyl)-4-(((1,1-dimethylethyl)dimethylsilyl)oxy)-2-methyl-1-oxo-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester, methyl (2R,8S)-8-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-oxo-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate, Methyl (2R,8S)-8-(bromomethyl)-4-{[tert-butyldi(methyl)silyl]oxy}-2-methyl-1-oxo-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-1,2,3,6,7,8-hexahydropyrrolo[3,2-e]indole-2-carboxylate, Methyl 8-(bromomethyl)-4-{[tert-butyl(dimethyl)silyl]oxy}-2-methyl-1-oxo-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-1,2,3,6,7,8-hexahydropyrrolo[3,2-e]indole-2-carboxylate
Technical Specifications
| Molecular Formula | C32H40BrN3O8Si |
| Molecular Weight | 701.1768 g/mol |
| XLogP | 6.2565 |
| Topological Polar Surface Area (TPSA) | 128.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 701.1768 Da |
| Heavy Atoms | 45 |
| Complexity | 1150.0 |
| SMILES | C[C@@]1(C(=O)C2=C3[C@@H](CN(C3=CC(=C2N1)O[Si](C)(C)C(C)(C)C)C(=O)C4=CC5=CC(=C(C(=C5N4)OC)OC)OC)CBr)C(=O)OC |
| InChIKey | JOFAXIKTXNNFTO-HYJWCJBQSA-N |
Chemical Property Profile of 8-O-tert-butyldimethylsilylduocarmycin B2
Property Insights of 8-O-tert-butyldimethylsilylduocarmycin B2
The XLogP value of 6.2565 indicates that 8-O-tert-butyldimethylsilylduocarmycin B2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-O-tert-butyldimethylsilylduocarmycin B2. Following Lipinski's Rule of Five, 8-O-tert-butyldimethylsilylduocarmycin B2 has 2 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 8-O-tert-butyldimethylsilylduocarmycin B2?
The CAS number of 8-O-tert-butyldimethylsilylduocarmycin B2 is 129953-15-7.
What is the molecular formula of 8-O-tert-butyldimethylsilylduocarmycin B2?
The molecular formula of 8-O-tert-butyldimethylsilylduocarmycin B2 is C32H40BrN3O8Si.
What is the molecular weight of 8-O-tert-butyldimethylsilylduocarmycin B2?
The molecular weight of 8-O-tert-butyldimethylsilylduocarmycin B2 is 701.1768 g/mol.
Where can I buy 8-O-tert-butyldimethylsilylduocarmycin B2?
You can request a quote for 8-O-tert-butyldimethylsilylduocarmycin B2 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 8-O-tert-butyldimethylsilylduocarmycin B2?
Yes, CoreyChem provides custom synthesis services for 8-O-tert-butyldimethylsilylduocarmycin B2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.