Duocarmycin Sa
TL;DR: Duocarmycin Sa (CAS 130288-24-3) is a chemical compound with molecular formula C25H23N3O7 and molecular weight 477.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1R,12S)-7-oxo-10-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-4-carboxylate
Also Known As: duocarmycin sa, Duocarmycin, (+)-duocarmycin SA, duocarmycinsa, Antibiotic DC113
| Molecular Formula | C25H23N3O7 |
|---|---|
| Molecular Weight | 477.15 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 477.1536 |
| Heavy Atoms | 35 |
| Complexity | 971.0 |
Chemical Identifiers
| CAS Number | 130288-24-3 |
|---|---|
| SMILES | COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3C[C@H]4C[C@@]45C3=CC(=O)C6=C5C=C(N6)C(=O)OC)OC)OC |
| InChIKey | VQNATVDKACXKTF-XELLLNAOSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Duocarmycin Sa (CAS 130288-24-3), with molecular formula C25H23N3O7 and molecular weight 477.15 g/mol. IUPAC: methyl (1R,12S)-7-oxo-10-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-4-carboxylate.
Chemical Property Profile of Duocarmycin Sa
Property Insights of Duocarmycin Sa
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Duocarmycin Sa. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Duocarmycin Sa. Following Lipinski's Rule of Five, Duocarmycin Sa has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Duocarmycin Sa?
The CAS number of Duocarmycin Sa is 130288-24-3.
What is the molecular formula of Duocarmycin Sa?
The molecular formula of Duocarmycin Sa is C25H23N3O7.
What is the molecular weight of Duocarmycin Sa?
The molecular weight of Duocarmycin Sa is 477.15 g/mol.
Where can I buy Duocarmycin Sa?
You can request a quote for Duocarmycin Sa directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Duocarmycin Sa?
Yes, KEHONG BIO provides custom synthesis services for Duocarmycin Sa and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.