Epipodophyllotoxin thiuronium bromide
TL;DR: Epipodophyllotoxin thiuronium bromide (CAS 51911-08-1) is a chemical compound with molecular formula C23H27BrN2O8S and molecular weight 570.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5S,5aR,8aR,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one;thiourea;hydrobromide
Also Known As: Epipodophyllotoxin thiuronium bromide, CH4N2S.xC22H22O8.xBrH, 4,8-Dimethyl-1,3,7-nonatriene, C-H4-N2-S.x-C22-H22-O8.x-Br-H, Thiourea, monohydrobromide, compd. with (5R-(5alpha,5abeta,8aalpha,9beta))-5,8,8a,9-tetrahydro-9-hydroxy-5-(3,4,5-trimethoxyphenyl)furo(3',4',6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one
| Molecular Formula | C23H27BrN2O8S |
|---|---|
| Molecular Weight | 570.07 g/mol |
| LogP | 2.1758 |
| Topological Polar Surface Area | 144.72 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 570.06714 |
| Heavy Atoms | 35 |
| Complexity | 1101.9355 |
Chemical Identifiers
| CAS Number | 51911-08-1 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O.C(=S)(N)N.Br |
Product Overview
Epipodophyllotoxin thiuronium bromide (CAS 51911-08-1), with molecular formula C23H27BrN2O8S and molecular weight 570.07 g/mol. IUPAC: (5S,5aR,8aR,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one;thiourea;hydrobromide.
Chemical Property Profile of Epipodophyllotoxin thiuronium bromide
Property Insights of Epipodophyllotoxin thiuronium bromide
The XLogP value of 2.1758 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Epipodophyllotoxin thiuronium bromide. The TPSA of 144.72 Ų indicates high polarity, suggesting Epipodophyllotoxin thiuronium bromide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Epipodophyllotoxin thiuronium bromide has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Epipodophyllotoxin thiuronium bromide?
The CAS number of Epipodophyllotoxin thiuronium bromide is 51911-08-1.
What is the molecular formula of Epipodophyllotoxin thiuronium bromide?
The molecular formula of Epipodophyllotoxin thiuronium bromide is C23H27BrN2O8S.
What is the molecular weight of Epipodophyllotoxin thiuronium bromide?
The molecular weight of Epipodophyllotoxin thiuronium bromide is 570.07 g/mol.
Where can I buy Epipodophyllotoxin thiuronium bromide?
You can request a quote for Epipodophyllotoxin thiuronium bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Epipodophyllotoxin thiuronium bromide?
Yes, KEHONG BIO provides custom synthesis services for Epipodophyllotoxin thiuronium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.