Vobtusine
TL;DR: Vobtusine (CAS 19772-79-3) is a chemical compound with molecular formula C43H50N4O6 and molecular weight 718.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1R,1'R,7'S,11'R,12R,13'R,16S,17S,22R,24'R,25'S)-24'-hydroxy-19'-methoxyspiro[15-oxa-8,19-diazahexacyclo[10.9.1.01,9.02,7.012,16.019,22]docosa-2,4,6,9-tetraene-17,15'-8-oxa-4,17-diazaheptacyclo[11.10.1.11,4.07,11.017,24.018,23.011,25]pentacosa-18(23),19,21-triene]-10-carboxylate
Also Known As: Vobtusine, Vobtusin, HY-N8351, methyl (1R,1'R,7'S,11'R,12R,13'R,16S,17S,22R,24'R,25'S)-24'-hydroxy-19'-methoxyspiro[15-oxa-8,19-diazahexacyclo[10.9.1.01,9.02,7.012,16.019,22]docosa-2,4,6,9-tetraene-17,15'-8-oxa-4,17-diazaheptacyclo[11.10.1.11,4.07,11.017,24.018,23.011,25]pentacosa-18(23),19,21-triene]-10-carboxylate, methyl hydroxy(methoxy)-[?],[?]-spirobi[[?]]carboxylate
| Molecular Formula | C43H50N4O6 |
|---|---|
| Molecular Weight | 718.37 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 96.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 718.37305 |
| Heavy Atoms | 53 |
| Complexity | 1680.0 |
Chemical Identifiers
| CAS Number | 19772-79-3 |
|---|---|
| SMILES | COC1=CC=CC2=C1N3C[C@]4(C[C@H]5[C@]3([C@]26CCN7[C@H]6[C@@]8(C5)CCO[C@H]8CC7)O)CN9CC[C@@]12[C@@H]9[C@@]3([C@H]4OCC3)CC(=C1NC1=CC=CC=C21)C(=O)OC |
| InChIKey | IIMPGJMHQMBXKL-OPDPKHDKSA-N |
Product Overview
Vobtusine (CAS 19772-79-3), with molecular formula C43H50N4O6 and molecular weight 718.37 g/mol. IUPAC: methyl (1R,1'R,7'S,11'R,12R,13'R,16S,17S,22R,24'R,25'S)-24'-hydroxy-19'-methoxyspiro[15-oxa-8,19-diazahexacyclo[10.9.1.01,9.02,7.012,16.019,22]docosa-2,4,6,9-tetraene-17,15'-8-oxa-4,17-diazaheptacyclo[11.10.1.11,4.07,11.017,24.018,23.011,25]pentacosa-18(23),19,21-triene]-10-carboxylate.
Chemical Property Profile of Vobtusine
Property Insights of Vobtusine
The XLogP value of 4.0 indicates that Vobtusine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Vobtusine. Following Lipinski's Rule of Five, Vobtusine has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Vobtusine?
The CAS number of Vobtusine is 19772-79-3.
What is the molecular formula of Vobtusine?
The molecular formula of Vobtusine is C43H50N4O6.
What is the molecular weight of Vobtusine?
The molecular weight of Vobtusine is 718.37 g/mol.
Where can I buy Vobtusine?
You can request a quote for Vobtusine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vobtusine?
Yes, KEHONG BIO provides custom synthesis services for Vobtusine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.