C46H60N6O9.3/2H2O
TL;DR: C46H60N6O9.3/2H2O (CAS 86157-27-9) is a chemical compound with molecular formula C46H60N6O9 and molecular weight 840.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
24-hexoxy-10-[(4-methoxyphenyl)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: C46H60N6O9.3/2H2O, 6-(O-Hexyl-3-hydroxy-N-methyl-L-tyrosine)-5-(N-methyl-L-tyrosine)bouvardin hydrate (2:3), C46-H60-N6-O9.3/2H2-O, Bouvardin, 6-(O-hexyl-3-hydroxy-N-methyl-L-tyrosine)-5-(N-methyl-L-tyrosine)-, hydrate (2:3), 24-(Hexyloxy)-2,5,11-trihydroxy-10-[(4-methoxyphenyl)methyl]-4,7,9,13,15,29-hexamethyl-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-nonaene-8,14,30-trione
| Molecular Formula | C46H60N6O9 |
|---|---|
| Molecular Weight | 840.44 g/mol |
| LogP | 3.7966 |
| Topological Polar Surface Area | 175.92 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 840.4422 |
| Heavy Atoms | 61 |
| Complexity | 2041.523 |
Chemical Identifiers
| CAS Number | 86157-27-9 |
|---|---|
| SMILES | CCCCCCOC1=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
C46H60N6O9.3/2H2O (CAS 86157-27-9), with molecular formula C46H60N6O9 and molecular weight 840.44 g/mol. IUPAC: 24-hexoxy-10-[(4-methoxyphenyl)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 C46H60N6O9.3/2H2O
Property Insights of C46H60N6O9.3/2H2O
The XLogP value of 3.7966 indicates that C46H60N6O9.3/2H2O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 175.92 Ų indicates high polarity, suggesting C46H60N6O9.3/2H2O may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C46H60N6O9.3/2H2O has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C46H60N6O9.3/2H2O?
The CAS number of C46H60N6O9.3/2H2O is 86157-27-9.
What is the molecular formula of C46H60N6O9.3/2H2O?
The molecular formula of C46H60N6O9.3/2H2O is C46H60N6O9.
What is the molecular weight of C46H60N6O9.3/2H2O?
The molecular weight of C46H60N6O9.3/2H2O is 840.44 g/mol.
Where can I buy C46H60N6O9.3/2H2O?
You can request a quote for C46H60N6O9.3/2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C46H60N6O9.3/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C46H60N6O9.3/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.