batrachotoxinin-A N-methylanthranilate
TL;DR: batrachotoxinin-A N-methylanthranilate (CAS 97779-14-1) is a chemical compound with molecular formula C32H42N2O6 and molecular weight 550.30 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-(methylamino)benzoate
Also Known As: BTX-NMA, Batrachotoxinin-A N-methylanthranilate, Batrachotoxinin A 20-alpha-N-methylanthranilate, BATRACHOTOXININ A, 20-(2-(METHYLAMINO)BENZOATE), 1-(9,12-Dihydroxy-2,11a-dimethyl-1,2,3,4,7a,8,9,10,11,11a,12,13-dodecahydro-7H-9,11b-epoxy-13a,5a-prop[1]enophenanthro[2,1-f][1,4]oxazepin-14-yl)ethyl 2-(methylamino)benzoate
| Molecular Formula | C32H42N2O6 |
|---|---|
| Molecular Weight | 550.30 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 550.30426 |
| Heavy Atoms | 40 |
| Complexity | 1140.0 |
Chemical Identifiers
| CAS Number | 97779-14-1 |
|---|---|
| SMILES | CC(C1=CC[C@@]23C1(C[C@H](C45C2=CC[C@H]6[C@@]4(CC[C@@](C6)(O5)O)C)O)CN(CCO3)C)OC(=O)C7=CC=CC=C7NC |
| InChIKey | WRXNSZUMLDUSOO-OCXZKYLZSA-N |
Product Overview
batrachotoxinin-A N-methylanthranilate (CAS 97779-14-1), with molecular formula C32H42N2O6 and molecular weight 550.30 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-(methylamino)benzoate.
Chemical Property Profile of batrachotoxinin-A N-methylanthranilate
Property Insights of batrachotoxinin-A N-methylanthranilate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for batrachotoxinin-A N-methylanthranilate. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for batrachotoxinin-A N-methylanthranilate. Following Lipinski's Rule of Five, batrachotoxinin-A N-methylanthranilate has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of batrachotoxinin-A N-methylanthranilate?
The CAS number of batrachotoxinin-A N-methylanthranilate is 97779-14-1.
What is the molecular formula of batrachotoxinin-A N-methylanthranilate?
The molecular formula of batrachotoxinin-A N-methylanthranilate is C32H42N2O6.
What is the molecular weight of batrachotoxinin-A N-methylanthranilate?
The molecular weight of batrachotoxinin-A N-methylanthranilate is 550.30 g/mol.
Where can I buy batrachotoxinin-A N-methylanthranilate?
You can request a quote for batrachotoxinin-A N-methylanthranilate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for batrachotoxinin-A N-methylanthranilate?
Yes, KEHONG BIO provides custom synthesis services for batrachotoxinin-A N-methylanthranilate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.