BREVETOXIN PbTx-1
TL;DR: BREVETOXIN PbTx-1 (CAS 98112-41-5) is a chemical compound with molecular formula C49H70O13 and molecular weight 866.48 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(41-hydroxy-4,8,10,46-tetramethyl-14-oxo-2,7,13,17,21,28,34,38,43,47-decaoxadecacyclo[25.24.0.03,22.06,20.08,18.012,16.029,48.033,46.035,44.037,42]henpentaconta-24,49-dien-39-yl)methyl]prop-2-enal
Also Known As: BREVETOXIN PbTx-1
| Molecular Formula | C49H70O13 |
|---|---|
| Molecular Weight | 866.48 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 3 |
| Exact Mass | 866.4816 |
| Heavy Atoms | 62 |
| Complexity | 1720.0 |
Chemical Identifiers
| CAS Number | 98112-41-5 |
|---|---|
| SMILES | CC1CC2C(CC(=O)O2)OC3CC4C(CC(C5C(O4)CC=CCC6C(O5)CC=CC7C(O6)CCCC8C(O7)(CC9C(O8)CC2C(O9)C(CC(O2)CC(=C)C=O)O)C)C)OC3(C1)C |
| InChIKey | MGVIMUPHKPHTKF-UHFFFAOYSA-N |
Product Overview
BREVETOXIN PbTx-1 (CAS 98112-41-5), with molecular formula C49H70O13 and molecular weight 866.48 g/mol. IUPAC: 2-[(41-hydroxy-4,8,10,46-tetramethyl-14-oxo-2,7,13,17,21,28,34,38,43,47-decaoxadecacyclo[25.24.0.03,22.06,20.08,18.012,16.029,48.033,46.035,44.037,42]henpentaconta-24,49-dien-39-yl)methyl]prop-2-enal.
Chemical Property Profile of BREVETOXIN PbTx-1
Property Insights of BREVETOXIN PbTx-1
The XLogP value of 5.3 indicates that BREVETOXIN PbTx-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 147.0 Ų indicates high polarity, suggesting BREVETOXIN PbTx-1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BREVETOXIN PbTx-1 has 1 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BREVETOXIN PbTx-1?
The CAS number of BREVETOXIN PbTx-1 is 98112-41-5.
What is the molecular formula of BREVETOXIN PbTx-1?
The molecular formula of BREVETOXIN PbTx-1 is C49H70O13.
What is the molecular weight of BREVETOXIN PbTx-1?
The molecular weight of BREVETOXIN PbTx-1 is 866.48 g/mol.
Where can I buy BREVETOXIN PbTx-1?
You can request a quote for BREVETOXIN PbTx-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BREVETOXIN PbTx-1?
Yes, KEHONG BIO provides custom synthesis services for BREVETOXIN PbTx-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.