Bouvardin catechol
TL;DR: Bouvardin catechol (CAS 88426-35-1) is a chemical compound with molecular formula C39H46N6O11 and molecular weight 774.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-[(3,4-dihydroxyphenyl)methyl]-17,24-dihydroxy-4,7,9,13,15,29-hexamethyl-22-oxa-3,6,9,12,15,29-hexazatetracyclo[14.12.2.218,21.123,27]tritriaconta-18,20,23,25,27(31),32-hexaene-2,5,8,11,14,30-hexone
Also Known As: Bouvardin catechol, 3-Hydroxy-O-desmethylbouvardin, Bouvardin, 3-(3-hydroxy-N-methyl-L-tyrosine)-, Bouvardin,3-(3-hydroxy-N-methyl-L-tyrosine)- (9CI), 10-((3,4-dihydroxyphenyl)methyl)-17,24-dihydroxy-4,7,9,13,15,29-hexamethyl-22-oxa-3,6,9,12,15,29-hexazatetracyclo(14.12.2.218,21.123,27)tritriaconta-18,20,23,25,27(31),32-hexaene-2,5,8,11,14,30-hexone
| Molecular Formula | C39H46N6O11 |
|---|---|
| Molecular Weight | 774.32 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 238.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 2 |
| Exact Mass | 774.32245 |
| Heavy Atoms | 56 |
| Complexity | 1460.0 |
Chemical Identifiers
| CAS Number | 88426-35-1 |
|---|---|
| SMILES | CC1C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)N(C2C(C3=CC=C(C=C3)OC4=C(C=CC(=C4)CC(C(=O)N1)N(C2=O)C)O)O)C)C)CC5=CC(=C(C=C5)O)O)C)C |
| InChIKey | BTOAVFVQMFWGNI-UHFFFAOYSA-N |
Product Overview
Bouvardin catechol (CAS 88426-35-1), with molecular formula C39H46N6O11 and molecular weight 774.32 g/mol. IUPAC: 10-[(3,4-dihydroxyphenyl)methyl]-17,24-dihydroxy-4,7,9,13,15,29-hexamethyl-22-oxa-3,6,9,12,15,29-hexazatetracyclo[14.12.2.218,21.123,27]tritriaconta-18,20,23,25,27(31),32-hexaene-2,5,8,11,14,30-hexone.
Chemical Property Profile of Bouvardin catechol
Property Insights of Bouvardin catechol
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bouvardin catechol. The TPSA of 238.0 Ų indicates high polarity, suggesting Bouvardin catechol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bouvardin catechol has 7 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 Bouvardin catechol?
The CAS number of Bouvardin catechol is 88426-35-1.
What is the molecular formula of Bouvardin catechol?
The molecular formula of Bouvardin catechol is C39H46N6O11.
What is the molecular weight of Bouvardin catechol?
The molecular weight of Bouvardin catechol is 774.32 g/mol.
Where can I buy Bouvardin catechol?
You can request a quote for Bouvardin catechol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bouvardin catechol?
Yes, KEHONG BIO provides custom synthesis services for Bouvardin catechol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.