Bouvardin, 5-(N-methyl-L-tyrosine)-, hexanoate (ester), hydrate
TL;DR: Bouvardin, 5-(N-methyl-L-tyrosine)-, hexanoate (ester), hydrate (CAS 86229-74-5) is a chemical compound with molecular formula C46H58N6O10 and molecular weight 854.42 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] hexanoate
Also Known As: 5-(N-Methyl-L-tyrosine)bouvardin hexanoate hydrate, Bouvardin, 5-(N-methyl-L-tyrosine)-, hexanoate (ester), 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 hexanoate
| Molecular Formula | C46H58N6O10 |
|---|---|
| Molecular Weight | 854.42 g/mol |
| LogP | 3.3232 |
| Topological Polar Surface Area | 192.99 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 854.42145 |
| Heavy Atoms | 62 |
| Complexity | 2126.7146 |
Chemical Identifiers
| CAS Number | 86229-74-5 |
|---|---|
| SMILES | CCCCCC(=O)OC1=C2C=C(CC3C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)N(C(CC4=CC=C(O2)C=C4)C(=O)N3C)C)C)CC5=CC=C(C=C5)OC)C)C)C)C=C1 |
Product Overview
Bouvardin, 5-(N-methyl-L-tyrosine)-, hexanoate (ester), hydrate (CAS 86229-74-5), with molecular formula C46H58N6O10 and molecular weight 854.42 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] hexanoate.
Chemical Property Profile of Bouvardin, 5-(N-methyl-L-tyrosine)-, hexanoate (ester), hydrate
Property Insights of Bouvardin, 5-(N-methyl-L-tyrosine)-, hexanoate (ester), hydrate
The XLogP value of 3.3232 indicates that Bouvardin, 5-(N-methyl-L-tyrosine)-, hexanoate (ester), 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)-, hexanoate (ester), hydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bouvardin, 5-(N-methyl-L-tyrosine)-, hexanoate (ester), 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)-, hexanoate (ester), hydrate?
The CAS number of Bouvardin, 5-(N-methyl-L-tyrosine)-, hexanoate (ester), hydrate is 86229-74-5.
What is the molecular formula of Bouvardin, 5-(N-methyl-L-tyrosine)-, hexanoate (ester), hydrate?
The molecular formula of Bouvardin, 5-(N-methyl-L-tyrosine)-, hexanoate (ester), hydrate is C46H58N6O10.
What is the molecular weight of Bouvardin, 5-(N-methyl-L-tyrosine)-, hexanoate (ester), hydrate?
The molecular weight of Bouvardin, 5-(N-methyl-L-tyrosine)-, hexanoate (ester), hydrate is 854.42 g/mol.
Where can I buy Bouvardin, 5-(N-methyl-L-tyrosine)-, hexanoate (ester), hydrate?
You can request a quote for Bouvardin, 5-(N-methyl-L-tyrosine)-, hexanoate (ester), 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)-, hexanoate (ester), hydrate?
Yes, KEHONG BIO provides custom synthesis services for Bouvardin, 5-(N-methyl-L-tyrosine)-, hexanoate (ester), hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.