5-Bromotetrandrine
TL;DR: 5-Bromotetrandrine (CAS 62067-29-2) is a chemical compound with molecular formula C38H41BrN2O6 and molecular weight 700.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,14S)-19-bromo-9,20,21,25-tetramethoxy-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(33),19,21,24,26,31-dodecaene
Also Known As: bromotetrandrine, 5-Bromotetrandrine, W-198, H-1.3, (11S,31S)-35-bromo-16,36,37,54-tetramethoxy-12,32-dimethyl-11,12,13,14,31,32,33,34-octahydro-2,6-dioxa-1(7,1),3(8,1)-diisoquinolina-5(1,3),7(1,4)-dibenzenacyclooctaphane
| Molecular Formula | C38H41BrN2O6 |
|---|---|
| Molecular Weight | 700.21 g/mol |
| LogP | 7.9249 |
| Topological Polar Surface Area | 61.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 700.2148 |
| Heavy Atoms | 47 |
| Complexity | 1809.8408 |
Chemical Identifiers
| CAS Number | 62067-29-2 |
|---|---|
| SMILES | CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@H]6C7=C(CCN6C)C(=C(C(=C7O3)OC)OC)Br)OC)OC |
Product Overview
5-Bromotetrandrine (CAS 62067-29-2), with molecular formula C38H41BrN2O6 and molecular weight 700.21 g/mol. IUPAC: (1S,14S)-19-bromo-9,20,21,25-tetramethoxy-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(33),19,21,24,26,31-dodecaene.
Chemical Property Profile of 5-Bromotetrandrine
Property Insights of 5-Bromotetrandrine
The XLogP value of 7.9249 indicates that 5-Bromotetrandrine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Bromotetrandrine. Following Lipinski's Rule of Five, 5-Bromotetrandrine has 0 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 5-Bromotetrandrine?
The CAS number of 5-Bromotetrandrine is 62067-29-2.
What is the molecular formula of 5-Bromotetrandrine?
The molecular formula of 5-Bromotetrandrine is C38H41BrN2O6.
What is the molecular weight of 5-Bromotetrandrine?
The molecular weight of 5-Bromotetrandrine is 700.21 g/mol.
Where can I buy 5-Bromotetrandrine?
You can request a quote for 5-Bromotetrandrine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromotetrandrine?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromotetrandrine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.