Bouvardin, 5-(N-methyl-L-tyrosine)-, benzoate, hydrate
TL;DR: Bouvardin, 5-(N-methyl-L-tyrosine)-, benzoate, hydrate (CAS 86229-85-8) is a chemical compound with molecular formula C47H52N6O10 and molecular weight 860.37 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] benzoate
Also Known As: 5-(N-Methyl-L-tyrosine)bouvardin benzoate hydrate, Bouvardin, 5-(N-methyl-L-tyrosine)-, benzoate, hydrate, 2,5,11-Trihydroxy-10-[(4-methoxyphenyl)methyl]-4,7,9,13,15,29-hexamethyl-8,14,30-trioxo-22-oxa-3,6,9,12,15,29-hexaazatetracyclo[14.12.2.2~18,21~.1~23,27~]tritriaconta-2,5,11,18,20,23(31),24,26,32-nonaen-24-yl benzoate
| Molecular Formula | C47H52N6O10 |
|---|---|
| Molecular Weight | 860.37 g/mol |
| LogP | 3.0567 |
| Topological Polar Surface Area | 192.99 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 860.3745 |
| Heavy Atoms | 63 |
| Complexity | 2356.4304 |
Chemical Identifiers
| CAS Number | 86229-85-8 |
|---|---|
| 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)C5=CC=CC=C5)C)C)CC6=CC=C(C=C6)OC)C)C |
Product Overview
Bouvardin, 5-(N-methyl-L-tyrosine)-, benzoate, hydrate (CAS 86229-85-8), with molecular formula C47H52N6O10 and molecular weight 860.37 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] benzoate.
Chemical Property Profile of Bouvardin, 5-(N-methyl-L-tyrosine)-, benzoate, hydrate
Property Insights of Bouvardin, 5-(N-methyl-L-tyrosine)-, benzoate, hydrate
The XLogP value of 3.0567 indicates that Bouvardin, 5-(N-methyl-L-tyrosine)-, benzoate, hydrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 192.99 Ų indicates high polarity, suggesting Bouvardin, 5-(N-methyl-L-tyrosine)-, benzoate, hydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bouvardin, 5-(N-methyl-L-tyrosine)-, benzoate, hydrate 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)-, benzoate, hydrate?
The CAS number of Bouvardin, 5-(N-methyl-L-tyrosine)-, benzoate, hydrate is 86229-85-8.
What is the molecular formula of Bouvardin, 5-(N-methyl-L-tyrosine)-, benzoate, hydrate?
The molecular formula of Bouvardin, 5-(N-methyl-L-tyrosine)-, benzoate, hydrate is C47H52N6O10.
What is the molecular weight of Bouvardin, 5-(N-methyl-L-tyrosine)-, benzoate, hydrate?
The molecular weight of Bouvardin, 5-(N-methyl-L-tyrosine)-, benzoate, hydrate is 860.37 g/mol.
Where can I buy Bouvardin, 5-(N-methyl-L-tyrosine)-, benzoate, hydrate?
You can request a quote for Bouvardin, 5-(N-methyl-L-tyrosine)-, benzoate, hydrate 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)-, benzoate, hydrate?
Yes, KEHONG BIO provides custom synthesis services for Bouvardin, 5-(N-methyl-L-tyrosine)-, benzoate, hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.