箭毒蛙鹼
TL;DR: 箭毒蛙鹼 (CAS 23509-16-2) is a chemical compound with molecular formula C31H42N2O6 and molecular weight 538.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
箭毒蛙鹼
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-dimethyl-1H-pyrrole-3-carboxylate
Also Known As: BATRACHOTOXIN, batrachotoxinin A 20-(2,4-dimethyl-1H-pyrrole-3-carboxylate), Batrachotoxinin A, 20-(2,4-dimethyl-1H-pyrrole-3-carboxylate), Betrachotoxinin A, 20-.alpha.-(2,4-dimethyl-1H-pyrrole-3-carboxylate), Betrachotoxinin A, 20-alpha-(2,4-dimethyl-1H-pyrrole-3-carboxylate)
| Molecular Formula | C31H42N2O6 |
|---|---|
| Molecular Weight | 538.30 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 538.30426 |
| Heavy Atoms | 39 |
| Complexity | 1140.0 |
Chemical Identifiers
| CAS Number | 23509-16-2 |
|---|---|
| SMILES | CC1=CNC(=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 |
| InChIKey | ISNYUQWBWALXEY-MXHVQNHZSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
箭毒蛙鹼 (CAS 23509-16-2), with molecular formula C31H42N2O6 and molecular weight 538.30 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-dimethyl-1H-pyrrole-3-carboxylate.
Chemical Property Profile of 箭毒蛙鹼
Property Insights of 箭毒蛙鹼
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 箭毒蛙鹼. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 箭毒蛙鹼. Following Lipinski's Rule of Five, 箭毒蛙鹼 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 箭毒蛙鹼?
The CAS number of 箭毒蛙鹼 is 23509-16-2.
What is the molecular formula of 箭毒蛙鹼?
The molecular formula of 箭毒蛙鹼 is C31H42N2O6.
What is the molecular weight of 箭毒蛙鹼?
The molecular weight of 箭毒蛙鹼 is 538.30 g/mol.
Where can I buy 箭毒蛙鹼?
You can request a quote for 箭毒蛙鹼 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 箭毒蛙鹼?
Yes, KEHONG BIO provides custom synthesis services for 箭毒蛙鹼 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.