Berbaman-7-ol, 6,6',12-trimethoxy-
TL;DR: Berbaman-7-ol, 6,6',12-trimethoxy- (CAS 111537-45-2) is a chemical compound with molecular formula C35H36N2O6 and molecular weight 580.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,15R)-10,21,26-trimethoxy-8,24-dioxa-16,31-diazaheptacyclo[23.6.2.13,7.19,13.115,19.028,32.023,34]hexatriaconta-3(36),4,6,9,11,13(35),19,21,23(34),25,27,32-dodecaen-22-ol
Also Known As: ( )-Bisnorthalrugosine, (+)-Bisnorthalrugosine, N,N'-Didemethylthalrugosine, Berbaman-7-ol, 6,6',12-trimethoxy-, (1~1~S)-1~6~,3~6~,5~4~-Trimethoxy-1~1~,1~2~,1~3~,1~4~,3~1~,3~2~,3~3~,3~4~-octahydro-2,6-dioxa-1(7,1),3(8,1)-diisoquinolina-5,7(1,3)-dibenzenacyclooctaphan-3~7~-ol
| Molecular Formula | C35H36N2O6 |
|---|---|
| Molecular Weight | 580.26 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 90.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 580.2573 |
| Heavy Atoms | 43 |
| Complexity | 910.0 |
Chemical Identifiers
| CAS Number | 111537-45-2 |
|---|---|
| SMILES | COC1=C2C=C(C[C@@H]3C4=C(C(=C(C=C4CCN3)OC)O)OC5=C(C=C6CCN[C@H](C6=C5)CC7=CC(=CC=C7)O2)OC)C=C1 |
| InChIKey | QXJQQJDEWJHCMP-RRPNLBNLSA-N |
Product Overview
Berbaman-7-ol, 6,6',12-trimethoxy- (CAS 111537-45-2), with molecular formula C35H36N2O6 and molecular weight 580.26 g/mol. IUPAC: (1S,15R)-10,21,26-trimethoxy-8,24-dioxa-16,31-diazaheptacyclo[23.6.2.13,7.19,13.115,19.028,32.023,34]hexatriaconta-3(36),4,6,9,11,13(35),19,21,23(34),25,27,32-dodecaen-22-ol.
Chemical Property Profile of Berbaman-7-ol, 6,6',12-trimethoxy-
Property Insights of Berbaman-7-ol, 6,6',12-trimethoxy-
The XLogP value of 5.4 indicates that Berbaman-7-ol, 6,6',12-trimethoxy- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Berbaman-7-ol, 6,6',12-trimethoxy-. Following Lipinski's Rule of Five, Berbaman-7-ol, 6,6',12-trimethoxy- 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 Berbaman-7-ol, 6,6',12-trimethoxy-?
The CAS number of Berbaman-7-ol, 6,6',12-trimethoxy- is 111537-45-2.
What is the molecular formula of Berbaman-7-ol, 6,6',12-trimethoxy-?
The molecular formula of Berbaman-7-ol, 6,6',12-trimethoxy- is C35H36N2O6.
What is the molecular weight of Berbaman-7-ol, 6,6',12-trimethoxy-?
The molecular weight of Berbaman-7-ol, 6,6',12-trimethoxy- is 580.26 g/mol.
Where can I buy Berbaman-7-ol, 6,6',12-trimethoxy-?
You can request a quote for Berbaman-7-ol, 6,6',12-trimethoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Berbaman-7-ol, 6,6',12-trimethoxy-?
Yes, KEHONG BIO provides custom synthesis services for Berbaman-7-ol, 6,6',12-trimethoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.