duocarmycin a
TL;DR: duocarmycin a (CAS 118292-34-5) is a chemical compound with molecular formula C26H25N3O8 and molecular weight 507.16415 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-methyl-3,7-dioxo-10-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),8-diene-4-carboxylate
Also Known As: duocarmycin a, Deuocarmycin A, DC88-A, Cyclopropa(c)pyrrolo(3,2-e)indole-6-carboxylic acid, 1,2,3,5,6,7,8,8a-octahydro-6-methyl-4,7-dioxo-2-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester, (6R,7bR,8aS)-, Cyclopropa(c)pyrrolo(3,2-e)indole-6-carboxylic acid, 1,2,4,5,6,7,8,8a-octahydro-6-methyl-4,7-dioxo-2-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester, (6R-(6alpha,7bR*,8aalpha))-
Technical Specifications
| Molecular Formula | C26H25N3O8 |
| Molecular Weight | 507.16415 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 136.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 507.16415 Da |
| Heavy Atoms | 37 |
| Complexity | 1160.0 |
| SMILES | CC1(C(=O)C2=C(N1)C(=O)C=C3C24CC4CN3C(=O)C5=CC6=CC(=C(C(=C6N5)OC)OC)OC)C(=O)OC |
| InChIKey | AZVARJHZBXHUSO-UHFFFAOYSA-N |
Chemical Property Profile of duocarmycin a
Property Insights of duocarmycin a
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for duocarmycin a. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for duocarmycin a. Following Lipinski's Rule of Five, duocarmycin a 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 duocarmycin a?
The CAS number of duocarmycin a is 118292-34-5.
What is the molecular formula of duocarmycin a?
The molecular formula of duocarmycin a is C26H25N3O8.
What is the molecular weight of duocarmycin a?
The molecular weight of duocarmycin a is 507.16415 g/mol.
Where can I buy duocarmycin a?
You can request a quote for duocarmycin a directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for duocarmycin a?
Yes, CoreyChem provides custom synthesis services for duocarmycin a and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.