4'-Deoxyvincaleukoblastine
TL;DR: 4'-Deoxyvincaleukoblastine (CAS 57194-39-5) is a chemical compound with molecular formula C46H58N4O8 and molecular weight 794.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 11-acetyloxy-12-ethyl-4-(17-ethyl-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl)-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate
Also Known As: Isoleurosine, 4'-Deoxyvincaleukoblastine, Vincaleukoblastine, 4'-deoxy-, Vincaleukoblastine, (18'.alpha.)-, (18'.alpha.)-4'-Deoxyvincaleukoblastine
| Molecular Formula | C46H58N4O8 |
|---|---|
| Molecular Weight | 794.43 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 794.4255 |
| Heavy Atoms | 58 |
| Complexity | 1650.0 |
Chemical Identifiers
| CAS Number | 57194-39-5 |
|---|---|
| SMILES | CCC1CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC |
| InChIKey | AGKYIOIIEPFTEV-UHFFFAOYSA-N |
Product Overview
4'-Deoxyvincaleukoblastine (CAS 57194-39-5), with molecular formula C46H58N4O8 and molecular weight 794.43 g/mol. IUPAC: methyl 11-acetyloxy-12-ethyl-4-(17-ethyl-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl)-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate.
Chemical Property Profile of 4'-Deoxyvincaleukoblastine
Property Insights of 4'-Deoxyvincaleukoblastine
The XLogP value of 4.8 indicates that 4'-Deoxyvincaleukoblastine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4'-Deoxyvincaleukoblastine. Following Lipinski's Rule of Five, 4'-Deoxyvincaleukoblastine has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4'-Deoxyvincaleukoblastine?
The CAS number of 4'-Deoxyvincaleukoblastine is 57194-39-5.
What is the molecular formula of 4'-Deoxyvincaleukoblastine?
The molecular formula of 4'-Deoxyvincaleukoblastine is C46H58N4O8.
What is the molecular weight of 4'-Deoxyvincaleukoblastine?
The molecular weight of 4'-Deoxyvincaleukoblastine is 794.43 g/mol.
Where can I buy 4'-Deoxyvincaleukoblastine?
You can request a quote for 4'-Deoxyvincaleukoblastine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Deoxyvincaleukoblastine?
Yes, KEHONG BIO provides custom synthesis services for 4'-Deoxyvincaleukoblastine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.