Bouvardin
TL;DR: Bouvardin (CAS 64755-14-2) is a chemical compound with molecular formula C40H48N6O10 and molecular weight 772.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,4S,7S,10S,13R,16R)-17,24-dihydroxy-10-[(4-methoxyphenyl)methyl]-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, Bouvardin (9CI), NCIStruc1_000155, 4-aminopyridine-3-sulfonic Acid, KST-1A7266
| Molecular Formula | C40H48N6O10 |
|---|---|
| Molecular Weight | 772.34 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 207.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 772.3432 |
| Heavy Atoms | 56 |
| Complexity | 1430.0 |
Chemical Identifiers
| CAS Number | 64755-14-2 |
|---|---|
| SMILES | C[C@H]1C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@@H](C(=O)N([C@@H]2C(C3=CC=C(C=C3)OC4=C(C=CC(=C4)C[C@H](C(=O)N1)N(C2=O)C)O)O)C)C)CC5=CC=C(C=C5)OC)C)C |
| InChIKey | TWOWSRSKGJSZHZ-ZRCCEHQSSA-N |
Product Overview
Bouvardin (CAS 64755-14-2), with molecular formula C40H48N6O10 and molecular weight 772.34 g/mol. IUPAC: (1R,4S,7S,10S,13R,16R)-17,24-dihydroxy-10-[(4-methoxyphenyl)methyl]-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
Property Insights of Bouvardin
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bouvardin. The TPSA of 207.0 Ų indicates high polarity, suggesting Bouvardin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bouvardin has 5 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 Bouvardin?
The CAS number of Bouvardin is 64755-14-2.
What is the molecular formula of Bouvardin?
The molecular formula of Bouvardin is C40H48N6O10.
What is the molecular weight of Bouvardin?
The molecular weight of Bouvardin is 772.34 g/mol.
Where can I buy Bouvardin?
You can request a quote for Bouvardin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bouvardin?
Yes, KEHONG BIO provides custom synthesis services for Bouvardin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.