5-Methylbatrachotoxin
TL;DR: 5-Methylbatrachotoxin (CAS 23509-21-9) is a chemical compound with molecular formula C32H44N2O6 and molecular weight 552.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(1R,5R,6S,9S,12R)-9,12-dihydroxy-6,16-dimethyl-10,19-dioxa-16-azahexacyclo[12.5.3.15,9.01,14.02,11.06,11]tricosa-2,21-dien-22-yl]ethyl 2,4,5-trimethyl-1H-pyrrole-3-carboxylate
Also Known As: 5-Methylbatrachotoxin, Batrachotoxinin A, 20-(2,4,5-trimethylpyrrole-3-carboxylate), Batrachotoxinin A, 20-(2,4,5-trimetyl-1H-pyrrole-3-carboxylate), BATRACHOTOXININ A, 20-alpha-(2,4,5-TRIMETHYL-1H-PYRROLE-3-CARBOXYLATE), Batrachotoxinin A, 20-(2,4,5-trimethyl-1H-pyrrole-3-carboxylate)
| Molecular Formula | C32H44N2O6 |
|---|---|
| Molecular Weight | 552.32 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 552.31995 |
| Heavy Atoms | 40 |
| Complexity | 1170.0 |
Chemical Identifiers
| CAS Number | 23509-21-9 |
|---|---|
| SMILES | CC1=C(NC(=C1C(=O)OC(C)C2=CC[C@@]34C2(C[C@H](C56C3=CC[C@H]7[C@@]5(CC[C@@](C7)(O6)O)C)O)CN(CCO4)C)C)C |
| InChIKey | MBORMZYFFQKAPD-CHTMVKQESA-N |
Product Overview
5-Methylbatrachotoxin (CAS 23509-21-9), with molecular formula C32H44N2O6 and molecular weight 552.32 g/mol. IUPAC: 1-[(1R,5R,6S,9S,12R)-9,12-dihydroxy-6,16-dimethyl-10,19-dioxa-16-azahexacyclo[12.5.3.15,9.01,14.02,11.06,11]tricosa-2,21-dien-22-yl]ethyl 2,4,5-trimethyl-1H-pyrrole-3-carboxylate.
Chemical Property Profile of 5-Methylbatrachotoxin
Property Insights of 5-Methylbatrachotoxin
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methylbatrachotoxin. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Methylbatrachotoxin. Following Lipinski's Rule of Five, 5-Methylbatrachotoxin has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Methylbatrachotoxin?
The CAS number of 5-Methylbatrachotoxin is 23509-21-9.
What is the molecular formula of 5-Methylbatrachotoxin?
The molecular formula of 5-Methylbatrachotoxin is C32H44N2O6.
What is the molecular weight of 5-Methylbatrachotoxin?
The molecular weight of 5-Methylbatrachotoxin is 552.32 g/mol.
Where can I buy 5-Methylbatrachotoxin?
You can request a quote for 5-Methylbatrachotoxin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methylbatrachotoxin?
Yes, KEHONG BIO provides custom synthesis services for 5-Methylbatrachotoxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.