Triptonine B
TL;DR: Triptonine B (CAS 2743531-75-9) is a chemical compound with molecular formula C45H55NO22 and molecular weight 961.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(1S,2R,3R,4R,7S,11R,15R,16R,17R,18S,21S,22R,32R,35S)-2,16,17,35-tetraacetyloxy-21,34-dihydroxy-7,21,22,32,34-pentamethyl-6,10,12,20,29-pentaoxo-5,13,19,30,33-pentaoxa-26-azahexacyclo[16.15.1.14,15.01,15.03,32.023,28]pentatriaconta-23(28),24,26-trien-11-yl]acetate
Also Known As: Triptonine B, 5,7-Dimethoxyflavone, Methyl 2-[(1S,2R,3R,4R,7S,11R,15R,16R,17R,18S,21S,22R,32R,35S)-2,16,17,35-tetraacetyloxy-21,34-dihydroxy-7,21,22,32,34-pentamethyl-6,10,12,20,29-pentaoxo-5,13,19,30,33-pentaoxa-26-azahexacyclo[16.15.1.14,15.01,15.03,32.023,28]pentatriaconta-23(28),24,26-trien-11-yl]acetate, methyl 2-(tetraacetoxy-dihydroxy-pentamethyl-pentaoxo-[?]yl)acetate
| Molecular Formula | C45H55NO22 |
|---|---|
| Molecular Weight | 961.32 g/mol |
| LogP | 0.2869 |
| Topological Polar Surface Area | 316.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 6 |
| Exact Mass | 961.3216 |
| Heavy Atoms | 68 |
| Complexity | 2290.7295 |
Chemical Identifiers
| CAS Number | 2743531-75-9 |
|---|---|
| SMILES | C[C@H]1CCC(=O)[C@H](C(=O)OC[C@]23[C@@H]([C@@H]([C@@H]4[C@H]([C@]25C([C@H]([C@@H]([C@@H]3OC(=O)C)OC(=O)C)OC(=O)[C@@]([C@@H](C6=C(C=NC=C6)C(=O)OC[C@@]4(O5)C)C)(C)O)(C)O)OC(=O)C)OC1=O)OC(=O)C)CC(=O)OC |
Product Overview
Triptonine B (CAS 2743531-75-9), with molecular formula C45H55NO22 and molecular weight 961.32 g/mol. IUPAC: methyl 2-[(1S,2R,3R,4R,7S,11R,15R,16R,17R,18S,21S,22R,32R,35S)-2,16,17,35-tetraacetyloxy-21,34-dihydroxy-7,21,22,32,34-pentamethyl-6,10,12,20,29-pentaoxo-5,13,19,30,33-pentaoxa-26-azahexacyclo[16.15.1.14,15.01,15.03,32.023,28]pentatriaconta-23(28),24,26-trien-11-yl]acetate.
Chemical Property Profile of Triptonine B
Property Insights of Triptonine B
The XLogP value of 0.2869 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Triptonine B. The TPSA of 316.35 Ų indicates high polarity, suggesting Triptonine B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Triptonine B has 2 hydrogen bond donor(s) and 23 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Triptonine B?
The CAS number of Triptonine B is 2743531-75-9.
What is the molecular formula of Triptonine B?
The molecular formula of Triptonine B is C45H55NO22.
What is the molecular weight of Triptonine B?
The molecular weight of Triptonine B is 961.32 g/mol.
Where can I buy Triptonine B?
You can request a quote for Triptonine B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triptonine B?
Yes, KEHONG BIO provides custom synthesis services for Triptonine B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.