Antillatoxin B
TL;DR: Antillatoxin B (CAS 357638-90-5) is a chemical compound with molecular formula C33H47N3O5 and molecular weight 565.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6S,9S,14R,15R)-7,9,14-trimethyl-13-methylidene-6-(2-phenylethyl)-15-[(2E,4E)-4,6,6-trimethylhepta-2,4-dien-2-yl]-1-oxa-4,7,10-triazacyclopentadecane-2,5,8,11-tetrone
Also Known As: Antillatoxin B, (6S,9S,14R,15R)-7,9,14-trimethyl-13-methylidene-6-(2-phenylethyl)-15-((2E,4E)-4,6,6-trimethylhepta-2,4-dien-2-yl)-1-oxa-4,7,10-triazacyclopentadecane-2,5,8,11-tetrone, (6S,9S,14R,15R)-7,9,14-trimethyl-13-methylidene-6-(2-phenylethyl)-15-[(2E,4E)-4,6,6-trimethylhepta-2,4-dien-2-yl]-1-oxa-4,7,10-triazacyclopentadecane-2,5,8,11-tetrone, RefChem:113144
| Molecular Formula | C33H47N3O5 |
|---|---|
| Molecular Weight | 565.35 g/mol |
| LogP | 4.5136 |
| Topological Polar Surface Area | 104.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 565.35156 |
| Heavy Atoms | 41 |
| Complexity | 1178.9989 |
Chemical Identifiers
| CAS Number | 357638-90-5 |
|---|---|
| SMILES | C[C@H]1[C@@H](OC(=O)CNC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)CC1=C)C)C)CCC2=CC=CC=C2)/C(=C/C(=C/C(C)(C)C)/C)/C |
Product Overview
Antillatoxin B (CAS 357638-90-5), with molecular formula C33H47N3O5 and molecular weight 565.35 g/mol. IUPAC: (6S,9S,14R,15R)-7,9,14-trimethyl-13-methylidene-6-(2-phenylethyl)-15-[(2E,4E)-4,6,6-trimethylhepta-2,4-dien-2-yl]-1-oxa-4,7,10-triazacyclopentadecane-2,5,8,11-tetrone.
Chemical Property Profile of Antillatoxin B
Property Insights of Antillatoxin B
The XLogP value of 4.5136 indicates that Antillatoxin B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.81 Ų falls within the moderate polarity range, balancing permeability and solubility for Antillatoxin B. Following Lipinski's Rule of Five, Antillatoxin B has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Antillatoxin B?
The CAS number of Antillatoxin B is 357638-90-5.
What is the molecular formula of Antillatoxin B?
The molecular formula of Antillatoxin B is C33H47N3O5.
What is the molecular weight of Antillatoxin B?
The molecular weight of Antillatoxin B is 565.35 g/mol.
Where can I buy Antillatoxin B?
You can request a quote for Antillatoxin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Antillatoxin B?
Yes, KEHONG BIO provides custom synthesis services for Antillatoxin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.