Berbaman-6',7,12-triol, 6-methoxy-2,2'-dimethyl-, (1beta)-
TL;DR: Berbaman-6',7,12-triol, 6-methoxy-2,2'-dimethyl-, (1beta)- (CAS 83113-24-0) 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,14S)-20-methoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaene-9,21,25-triol
Also Known As: Berbaman-6',7,12-triol, 6-methoxy-2,2'-dimethyl-, (1beta)-, 6-Methoxy-2,2'-dimethyl-1beta-berbaman-6',7,12-triol
| Molecular Formula | C35H36N2O6 |
|---|---|
| Molecular Weight | 580.26 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 94.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 580.2573 |
| Heavy Atoms | 43 |
| Complexity | 932.0 |
Chemical Identifiers
| CAS Number | 83113-24-0 |
|---|---|
| SMILES | CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)O)O)O |
| InChIKey | WQEOEJRCRPBSFI-SVBPBHIXSA-N |
Product Overview
Berbaman-6',7,12-triol, 6-methoxy-2,2'-dimethyl-, (1beta)- (CAS 83113-24-0), with molecular formula C35H36N2O6 and molecular weight 580.26 g/mol. IUPAC: (1S,14S)-20-methoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaene-9,21,25-triol.
Chemical Property Profile of Berbaman-6',7,12-triol, 6-methoxy-2,2'-dimethyl-, (1beta)-
Property Insights of Berbaman-6',7,12-triol, 6-methoxy-2,2'-dimethyl-, (1beta)-
The XLogP value of 5.4 indicates that Berbaman-6',7,12-triol, 6-methoxy-2,2'-dimethyl-, (1beta)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Berbaman-6',7,12-triol, 6-methoxy-2,2'-dimethyl-, (1beta)-. Following Lipinski's Rule of Five, Berbaman-6',7,12-triol, 6-methoxy-2,2'-dimethyl-, (1beta)- 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-6',7,12-triol, 6-methoxy-2,2'-dimethyl-, (1beta)-?
The CAS number of Berbaman-6',7,12-triol, 6-methoxy-2,2'-dimethyl-, (1beta)- is 83113-24-0.
What is the molecular formula of Berbaman-6',7,12-triol, 6-methoxy-2,2'-dimethyl-, (1beta)-?
The molecular formula of Berbaman-6',7,12-triol, 6-methoxy-2,2'-dimethyl-, (1beta)- is C35H36N2O6.
What is the molecular weight of Berbaman-6',7,12-triol, 6-methoxy-2,2'-dimethyl-, (1beta)-?
The molecular weight of Berbaman-6',7,12-triol, 6-methoxy-2,2'-dimethyl-, (1beta)- is 580.26 g/mol.
Where can I buy Berbaman-6',7,12-triol, 6-methoxy-2,2'-dimethyl-, (1beta)-?
You can request a quote for Berbaman-6',7,12-triol, 6-methoxy-2,2'-dimethyl-, (1beta)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Berbaman-6',7,12-triol, 6-methoxy-2,2'-dimethyl-, (1beta)-?
Yes, KEHONG BIO provides custom synthesis services for Berbaman-6',7,12-triol, 6-methoxy-2,2'-dimethyl-, (1beta)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.