杜卡霉素SA
TL;DR: 杜卡霉素SA (CAS 186497-07-4) is a chemical compound with molecular formula C25H25N3O7 and molecular weight 479.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
杜卡霉素SA
methyl 4-hydroxy-8-methyl-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate
Also Known As: Zibotentan, (+)DUOCARMYCIN SA, 2-[[3-(3,4-Dimethoxyphenyl)-1-oxo-2-propenyl]amino]benzoic Acid, methyl 4-hydroxy-8-methyl-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate, methyl 4-hydroxy-8-methyl-6-[(5,6,7-trimethoxy-1H-indol-2-yl)carbonyl]-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxylate
| Molecular Formula | C25H25N3O7 |
|---|---|
| Molecular Weight | 479.17 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 479.16925 |
| Heavy Atoms | 35 |
| Complexity | 814.0 |
Chemical Identifiers
| CAS Number | 186497-07-4 |
|---|---|
| SMILES | CC1CN(C2=CC(=C3C(=C12)C=C(N3)C(=O)OC)O)C(=O)C4=CC5=CC(=C(C(=C5N4)OC)OC)OC |
| InChIKey | JMVYAMWFXLCMJM-UHFFFAOYSA-N |
Product Overview
杜卡霉素SA (CAS 186497-07-4), with molecular formula C25H25N3O7 and molecular weight 479.17 g/mol. IUPAC: methyl 4-hydroxy-8-methyl-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate.
Chemical Property Profile of 杜卡霉素SA
Property Insights of 杜卡霉素SA
The XLogP value of 3.6 indicates that 齐泊腾坦 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 杜卡霉素SA. Following Lipinski's Rule of Five, 齐泊腾坦 has 3 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 齐泊腾坦?
The CAS number of 齐泊腾坦 is 186497-07-4.
What is the molecular formula of 齐泊腾坦?
The molecular formula of 齐泊腾坦 is C25H25N3O7.
What is the molecular weight of 齐泊腾坦?
The molecular weight of 齐泊腾坦 is 479.17 g/mol.
Where can I buy 齐泊腾坦?
You can request a quote for 齐泊腾坦 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 齐泊腾坦?
Yes, KEHONG BIO provides custom synthesis services for 齐泊腾坦 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.