Bonafousine
TL;DR: Bonafousine (CAS 60820-65-7) is a chemical compound with molecular formula C35H40N4O3 and molecular weight 564.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1S,15S,17S,18S)-5-[(2R,5R)-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-yl]-17-ethyl-6-hydroxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate
Also Known As: Bonafousine, methyl (1S,15S,17S,18S)-5-[(2R,5R)-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-yl]-17-ethyl-6-hydroxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate, 8-(hydroxymethyl)-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano[3,2-g]chromen-6-one, Methyl (6xi)-14-[(3aR,6R)-2,3,3a,4,5,6-hexahydro-1H-indolo[3,2,1-de][1,5]naphthyridin-6-yl]-13-hydroxy-2alpha-ibogamine-18-carboxylate, Methyl 5-(1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-yl)-17-ethyl-6-hydroxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate
| Molecular Formula | C35H40N4O3 |
|---|---|
| Molecular Weight | 564.31 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 82.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 564.31006 |
| Heavy Atoms | 42 |
| Complexity | 1070.0 |
Chemical Identifiers
| CAS Number | 60820-65-7 |
|---|---|
| SMILES | CC[C@H]1C[C@H]2C[C@@]3([C@H]1N(C2)CCC4=C3NC5=C4C=CC(=C5[C@H]6CC[C@@H]7C8=C(CCN7)C9=CC=CC=C9N68)O)C(=O)OC |
| InChIKey | HLAQOSKRDJCTPZ-BCVSJKHFSA-N |
Product Overview
Bonafousine (CAS 60820-65-7), with molecular formula C35H40N4O3 and molecular weight 564.31 g/mol. IUPAC: methyl (1S,15S,17S,18S)-5-[(2R,5R)-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-yl]-17-ethyl-6-hydroxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate.
Chemical Property Profile of Bonafousine
Property Insights of Bonafousine
The XLogP value of 4.9 indicates that Bonafousine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Bonafousine. Following Lipinski's Rule of Five, Bonafousine has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bonafousine?
The CAS number of Bonafousine is 60820-65-7.
What is the molecular formula of Bonafousine?
The molecular formula of Bonafousine is C35H40N4O3.
What is the molecular weight of Bonafousine?
The molecular weight of Bonafousine is 564.31 g/mol.
Where can I buy Bonafousine?
You can request a quote for Bonafousine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bonafousine?
Yes, KEHONG BIO provides custom synthesis services for Bonafousine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.