Seco-Duocarmycin TM
TL;DR: Seco-Duocarmycin TM (CAS 236102-87-7) is a chemical compound with molecular formula C25H24N2O6 and molecular weight 448.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S)-5-hydroxy-1-(hydroxymethyl)-1,2-dihydrobenzo[e]indol-3-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone
Also Known As: Seco-Duocarmycin TM, (1S)-1-(hydroxymethyl)-3-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-1H,2H,3H-benzo[e]indol-5-ol, [(1S)-5-hydroxy-1-(hydroxymethyl)-1,2-dihydrobenzo[e]indol-3-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone
| Molecular Formula | C25H24N2O6 |
|---|---|
| Molecular Weight | 448.16 g/mol |
| LogP | 3.7888 |
| Topological Polar Surface Area | 104.25 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 448.16342 |
| Heavy Atoms | 33 |
| Complexity | 1393.1829 |
Chemical Identifiers
| CAS Number | 236102-87-7 |
|---|---|
| SMILES | COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3C[C@H](C4=C3C=C(C5=CC=CC=C54)O)CO)OC)OC |
Product Overview
Seco-Duocarmycin TM (CAS 236102-87-7), with molecular formula C25H24N2O6 and molecular weight 448.16 g/mol. IUPAC: [(1S)-5-hydroxy-1-(hydroxymethyl)-1,2-dihydrobenzo[e]indol-3-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone.
Chemical Property Profile of Seco-Duocarmycin TM
Property Insights of Seco-Duocarmycin TM
The XLogP value of 3.7888 indicates that Seco-Duocarmycin TM is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.25 Ų falls within the moderate polarity range, balancing permeability and solubility for Seco-Duocarmycin TM. Following Lipinski's Rule of Five, Seco-Duocarmycin TM has 3 hydrogen bond donor(s) and 6 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 Seco-Duocarmycin TM?
The CAS number of Seco-Duocarmycin TM is 236102-87-7.
What is the molecular formula of Seco-Duocarmycin TM?
The molecular formula of Seco-Duocarmycin TM is C25H24N2O6.
What is the molecular weight of Seco-Duocarmycin TM?
The molecular weight of Seco-Duocarmycin TM is 448.16 g/mol.
Where can I buy Seco-Duocarmycin TM?
You can request a quote for Seco-Duocarmycin TM directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Seco-Duocarmycin TM?
Yes, KEHONG BIO provides custom synthesis services for Seco-Duocarmycin TM and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.