O-Desmethylbouvardin
TL;DR: O-Desmethylbouvardin (CAS 88360-88-7) is a chemical compound with molecular formula C39H46N6O10 and molecular weight 758.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17,24-dihydroxy-10-[(4-hydroxyphenyl)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: O-Desmethylbouvardin, Desmethylbouvardin, O-Demethylbouvardin, BOUVARDIN, O-DESMETHYL, Bouvardin, 3-(N-methyl-L-tyrosine)-
| Molecular Formula | C39H46N6O10 |
|---|---|
| Molecular Weight | 758.33 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 218.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 2 |
| Exact Mass | 758.3275 |
| Heavy Atoms | 55 |
| Complexity | 1420.0 |
Chemical Identifiers
| CAS Number | 88360-88-7 |
|---|---|
| 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)C)C |
| InChIKey | YOCWDXULSGQNRW-UHFFFAOYSA-N |
Product Overview
O-Desmethylbouvardin (CAS 88360-88-7), with molecular formula C39H46N6O10 and molecular weight 758.33 g/mol. IUPAC: 17,24-dihydroxy-10-[(4-hydroxyphenyl)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 O-Desmethylbouvardin
Property Insights of O-Desmethylbouvardin
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-Desmethylbouvardin. The TPSA of 218.0 Ų indicates high polarity, suggesting O-Desmethylbouvardin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, O-Desmethylbouvardin has 6 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 O-Desmethylbouvardin?
The CAS number of O-Desmethylbouvardin is 88360-88-7.
What is the molecular formula of O-Desmethylbouvardin?
The molecular formula of O-Desmethylbouvardin is C39H46N6O10.
What is the molecular weight of O-Desmethylbouvardin?
The molecular weight of O-Desmethylbouvardin is 758.33 g/mol.
Where can I buy O-Desmethylbouvardin?
You can request a quote for O-Desmethylbouvardin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-Desmethylbouvardin?
Yes, KEHONG BIO provides custom synthesis services for O-Desmethylbouvardin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.