Deoxybouvardin
TL;DR: Deoxybouvardin (CAS 64725-24-2) is a chemical compound with molecular formula C40H48N6O9 and molecular weight 756.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
24-hydroxy-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: Deoxybouvardin, RA-V, RA V, TPC-A, Bouvardin, 5-(N-methyl-L-tyrosine)-
| Molecular Formula | C40H48N6O9 |
|---|---|
| Molecular Weight | 756.35 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 187.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 756.34827 |
| Heavy Atoms | 55 |
| Complexity | 1400.0 |
Chemical Identifiers
| CAS Number | 64725-24-2 |
|---|---|
| SMILES | CC1C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)N(C2CC3=CC=C(C=C3)OC4=C(C=CC(=C4)CC(C(=O)N1)N(C2=O)C)O)C)C)CC5=CC=C(C=C5)OC)C)C |
| InChIKey | VXVGFMUNENQGFW-UHFFFAOYSA-N |
Product Overview
Deoxybouvardin (CAS 64725-24-2), with molecular formula C40H48N6O9 and molecular weight 756.35 g/mol. IUPAC: 24-hydroxy-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 Deoxybouvardin
Property Insights of Deoxybouvardin
The XLogP value of 3.0 indicates that Deoxybouvardin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 187.0 Ų indicates high polarity, suggesting Deoxybouvardin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Deoxybouvardin has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Deoxybouvardin?
The CAS number of Deoxybouvardin is 64725-24-2.
What is the molecular formula of Deoxybouvardin?
The molecular formula of Deoxybouvardin is C40H48N6O9.
What is the molecular weight of Deoxybouvardin?
The molecular weight of Deoxybouvardin is 756.35 g/mol.
Where can I buy Deoxybouvardin?
You can request a quote for Deoxybouvardin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Deoxybouvardin?
Yes, KEHONG BIO provides custom synthesis services for Deoxybouvardin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.