Bouvardin, 5-(N-methyl-L-tyrosine)-, acetate (ester)
TL;DR: Bouvardin, 5-(N-methyl-L-tyrosine)-, acetate (ester) (CAS 86229-75-6) is a chemical compound with molecular formula C42H50N6O10 and molecular weight 798.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[10-[(4-methoxyphenyl)methyl]-4,7,9,13,15,29-hexamethyl-2,5,8,11,14,30-hexaoxo-22-oxa-3,6,9,12,15,29-hexazatetracyclo[14.12.2.218,21.123,27]tritriaconta-18,20,23,25,27(31),32-hexaen-24-yl] acetate
Also Known As: Acetyl ester of TPC-A, RA-V-23, 5-(N-Methyl-L-tyrosine)bouvardin acetate, Bouvardin, 5-(N-methyl-L-tyrosine)-, acetate (ester), ACETYLDEOXYBOUVARDIN B613763K154
| Molecular Formula | C42H50N6O10 |
|---|---|
| Molecular Weight | 798.36 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 193.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 798.3588 |
| Heavy Atoms | 58 |
| Complexity | 1510.0 |
Chemical Identifiers
| CAS Number | 86229-75-6 |
|---|---|
| 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)OC(=O)C)C)C)CC5=CC=C(C=C5)OC)C)C |
| InChIKey | NQHZPMAGMUQTJO-UHFFFAOYSA-N |
Product Overview
Bouvardin, 5-(N-methyl-L-tyrosine)-, acetate (ester) (CAS 86229-75-6), with molecular formula C42H50N6O10 and molecular weight 798.36 g/mol. IUPAC: [10-[(4-methoxyphenyl)methyl]-4,7,9,13,15,29-hexamethyl-2,5,8,11,14,30-hexaoxo-22-oxa-3,6,9,12,15,29-hexazatetracyclo[14.12.2.218,21.123,27]tritriaconta-18,20,23,25,27(31),32-hexaen-24-yl] acetate.
Chemical Property Profile of Bouvardin, 5-(N-methyl-L-tyrosine)-, acetate (ester)
Property Insights of Bouvardin, 5-(N-methyl-L-tyrosine)-, acetate (ester)
The XLogP value of 3.1 indicates that Bouvardin, 5-(N-methyl-L-tyrosine)-, acetate (ester) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 193.0 Ų indicates high polarity, suggesting Bouvardin, 5-(N-methyl-L-tyrosine)-, acetate (ester) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bouvardin, 5-(N-methyl-L-tyrosine)-, acetate (ester) has 3 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, 5-(N-methyl-L-tyrosine)-, acetate (ester)?
The CAS number of Bouvardin, 5-(N-methyl-L-tyrosine)-, acetate (ester) is 86229-75-6.
What is the molecular formula of Bouvardin, 5-(N-methyl-L-tyrosine)-, acetate (ester)?
The molecular formula of Bouvardin, 5-(N-methyl-L-tyrosine)-, acetate (ester) is C42H50N6O10.
What is the molecular weight of Bouvardin, 5-(N-methyl-L-tyrosine)-, acetate (ester)?
The molecular weight of Bouvardin, 5-(N-methyl-L-tyrosine)-, acetate (ester) is 798.36 g/mol.
Where can I buy Bouvardin, 5-(N-methyl-L-tyrosine)-, acetate (ester)?
You can request a quote for Bouvardin, 5-(N-methyl-L-tyrosine)-, acetate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bouvardin, 5-(N-methyl-L-tyrosine)-, acetate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Bouvardin, 5-(N-methyl-L-tyrosine)-, acetate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.