6,6',12'-Trimethoxy-1,1',2,2',3,4-hexadehydrooxyacanthan-7-ol
TL;DR: 6,6',12'-Trimethoxy-1,1',2,2',3,4-hexadehydrooxyacanthan-7-ol (CAS 113846-98-3) is a chemical compound with molecular formula C35H30N2O6 and molecular weight 574.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,20,25-trimethoxy-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-1(30),3(36),4,6,9(35),10,12(34),14,16,18,20,22(33),24,26,31-pentadecaen-21-ol
Also Known As: Stephasubimine, N-Demrthyl-1,2-didehydrostephasubine, J2.387.131I, 6,6',12'-trimethoxy-1,1',2,2',3,4-hexadehydrooxyacanthan-7-ol, 3,5-Dihydro-9,21,26-trimethoxy-2H-1,24:12,15-dietheno-6,10-metheno-16H-pyrido[2 ,3 :17,18][1,10]dioxacycloicosino[2,3,4-ij]isoquinoline-22-ol
| Molecular Formula | C35H30N2O6 |
|---|---|
| Molecular Weight | 574.21 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 574.2104 |
| Heavy Atoms | 43 |
| Complexity | 957.0 |
Chemical Identifiers
| CAS Number | 113846-98-3 |
|---|---|
| SMILES | COC1=C2C=C(CC3=NCCC4=CC(=C(C=C43)OC5=C6C(=NC=CC6=CC(=C5O)OC)CC7=CC=C(O2)C=C7)OC)C=C1 |
| InChIKey | PENCAUZUAIQGBQ-UHFFFAOYSA-N |
Product Overview
6,6',12'-Trimethoxy-1,1',2,2',3,4-hexadehydrooxyacanthan-7-ol (CAS 113846-98-3), with molecular formula C35H30N2O6 and molecular weight 574.21 g/mol. IUPAC: 6,20,25-trimethoxy-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-1(30),3(36),4,6,9(35),10,12(34),14,16,18,20,22(33),24,26,31-pentadecaen-21-ol.
Chemical Property Profile of 6,6',12'-Trimethoxy-1,1',2,2',3,4-hexadehydrooxyacanthan-7-ol
Property Insights of 6,6',12'-Trimethoxy-1,1',2,2',3,4-hexadehydrooxyacanthan-7-ol
The XLogP value of 6.1 indicates that 6,6',12'-Trimethoxy-1,1',2,2',3,4-hexadehydrooxyacanthan-7-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,6',12'-Trimethoxy-1,1',2,2',3,4-hexadehydrooxyacanthan-7-ol. Following Lipinski's Rule of Five, 6,6',12'-Trimethoxy-1,1',2,2',3,4-hexadehydrooxyacanthan-7-ol has 1 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 6,6',12'-Trimethoxy-1,1',2,2',3,4-hexadehydrooxyacanthan-7-ol?
The CAS number of 6,6',12'-Trimethoxy-1,1',2,2',3,4-hexadehydrooxyacanthan-7-ol is 113846-98-3.
What is the molecular formula of 6,6',12'-Trimethoxy-1,1',2,2',3,4-hexadehydrooxyacanthan-7-ol?
The molecular formula of 6,6',12'-Trimethoxy-1,1',2,2',3,4-hexadehydrooxyacanthan-7-ol is C35H30N2O6.
What is the molecular weight of 6,6',12'-Trimethoxy-1,1',2,2',3,4-hexadehydrooxyacanthan-7-ol?
The molecular weight of 6,6',12'-Trimethoxy-1,1',2,2',3,4-hexadehydrooxyacanthan-7-ol is 574.21 g/mol.
Where can I buy 6,6',12'-Trimethoxy-1,1',2,2',3,4-hexadehydrooxyacanthan-7-ol?
You can request a quote for 6,6',12'-Trimethoxy-1,1',2,2',3,4-hexadehydrooxyacanthan-7-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,6',12'-Trimethoxy-1,1',2,2',3,4-hexadehydrooxyacanthan-7-ol?
Yes, KEHONG BIO provides custom synthesis services for 6,6',12'-Trimethoxy-1,1',2,2',3,4-hexadehydrooxyacanthan-7-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.