6-O-Methylbouvardin
TL;DR: 6-O-Methylbouvardin (CAS 70840-66-3) is a chemical compound with molecular formula C41H50N6O10 and molecular weight 786.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,4R,7S,10S,13S)-7-(hydroxymethyl)-24-methoxy-10-[(4-methoxyphenyl)methyl]-4,9,13,15,29-pentamethyl-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: 6-O-Methylbouvardin, Bouvardin, 6-(3-hydroxy-N,O-dimethyl-L-tyrosine)-, BOUVARDIN, METHYL ETHER (B613763K151), 2,6-diamino-pyrimidin-4,5-dione 5-[(4-nitro-phenyl)-hydrazone], (1S,4R,7S,10S,13S)-7-(hydroxymethyl)-24-methoxy-10-((4-methoxyphenyl)methyl)-4,9,13,15,29-pentamethyl-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 | C41H50N6O10 |
|---|---|
| Molecular Weight | 786.36 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 196.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 786.3588 |
| Heavy Atoms | 57 |
| Complexity | 1430.0 |
Chemical Identifiers
| CAS Number | 70840-66-3 |
|---|---|
| SMILES | C[C@@H]1C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N(C2CC3=CC=C(C=C3)OC4=C(C=CC(=C4)C[C@@H](C(=O)N1)N(C2=O)C)OC)C)C)CC5=CC=C(C=C5)OC)C)CO |
| InChIKey | WASXNYRXXQONPG-PASMDGQESA-N |
Product Overview
6-O-Methylbouvardin (CAS 70840-66-3), with molecular formula C41H50N6O10 and molecular weight 786.36 g/mol. IUPAC: (1S,4R,7S,10S,13S)-7-(hydroxymethyl)-24-methoxy-10-[(4-methoxyphenyl)methyl]-4,9,13,15,29-pentamethyl-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 6-O-Methylbouvardin
Property Insights of 6-O-Methylbouvardin
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-O-Methylbouvardin. The TPSA of 196.0 Ų indicates high polarity, suggesting 6-O-Methylbouvardin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-O-Methylbouvardin has 4 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 6-O-Methylbouvardin?
The CAS number of 6-O-Methylbouvardin is 70840-66-3.
What is the molecular formula of 6-O-Methylbouvardin?
The molecular formula of 6-O-Methylbouvardin is C41H50N6O10.
What is the molecular weight of 6-O-Methylbouvardin?
The molecular weight of 6-O-Methylbouvardin is 786.36 g/mol.
Where can I buy 6-O-Methylbouvardin?
You can request a quote for 6-O-Methylbouvardin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-O-Methylbouvardin?
Yes, KEHONG BIO provides custom synthesis services for 6-O-Methylbouvardin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.