4'-O-demethyl-4-((4''-(1''-benzylpiperidinyl))amino)-4-desoxypodophyllotoxin
TL;DR: 4'-O-demethyl-4-((4''-(1''-benzylpiperidinyl))amino)-4-desoxypodophyllotoxin (CAS 18595-13-6) is a chemical compound with molecular formula C33H36N2O7 and molecular weight 572.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5S,5aS,8aR,9R)-5-[(1-benzylpiperidin-4-yl)amino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
Also Known As: Dbadptx, 4'-O-Demethyl-4-((4''-(1''-benzylpiperidinyl))amino)-4-desoxypodophyllotoxin, (5r,5ar,8as,9s)-9-[(1-benzylpiperidin-4-yl)amino]-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5ah)-one, (5S,5aS,8aR,9R)-5-[(1-benzylpiperidin-4-yl)amino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one, 5,8,8a,9-Tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-9-((1-(phenylmethyl)-4-piperidinyl)amino)furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one (5R-(5alpha,5abeta,8aalpha,9beta))-
| Molecular Formula | C33H36N2O7 |
|---|---|
| Molecular Weight | 572.25 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 98.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 572.25226 |
| Heavy Atoms | 42 |
| Complexity | 910.0 |
Chemical Identifiers
| CAS Number | 18595-13-6 |
|---|---|
| SMILES | COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NC6CCN(CC6)CC7=CC=CC=C7 |
| InChIKey | GQMFUALQPLOONU-QIXIFPRPSA-N |
Product Overview
4'-O-demethyl-4-((4''-(1''-benzylpiperidinyl))amino)-4-desoxypodophyllotoxin (CAS 18595-13-6), with molecular formula C33H36N2O7 and molecular weight 572.25 g/mol. IUPAC: (5S,5aS,8aR,9R)-5-[(1-benzylpiperidin-4-yl)amino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one.
Chemical Property Profile of 4'-O-demethyl-4-((4''-(1''-benzylpiperidinyl))amino)-4-desoxypodophyllotoxin
Property Insights of 4'-O-demethyl-4-((4''-(1''-benzylpiperidinyl))amino)-4-desoxypodophyllotoxin
The XLogP value of 4.0 indicates that 4'-O-demethyl-4-((4''-(1''-benzylpiperidinyl))amino)-4-desoxypodophyllotoxin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4'-O-demethyl-4-((4''-(1''-benzylpiperidinyl))amino)-4-desoxypodophyllotoxin. Following Lipinski's Rule of Five, 4'-O-demethyl-4-((4''-(1''-benzylpiperidinyl))amino)-4-desoxypodophyllotoxin has 2 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 4'-O-demethyl-4-((4''-(1''-benzylpiperidinyl))amino)-4-desoxypodophyllotoxin?
The CAS number of 4'-O-demethyl-4-((4''-(1''-benzylpiperidinyl))amino)-4-desoxypodophyllotoxin is 18595-13-6.
What is the molecular formula of 4'-O-demethyl-4-((4''-(1''-benzylpiperidinyl))amino)-4-desoxypodophyllotoxin?
The molecular formula of 4'-O-demethyl-4-((4''-(1''-benzylpiperidinyl))amino)-4-desoxypodophyllotoxin is C33H36N2O7.
What is the molecular weight of 4'-O-demethyl-4-((4''-(1''-benzylpiperidinyl))amino)-4-desoxypodophyllotoxin?
The molecular weight of 4'-O-demethyl-4-((4''-(1''-benzylpiperidinyl))amino)-4-desoxypodophyllotoxin is 572.25 g/mol.
Where can I buy 4'-O-demethyl-4-((4''-(1''-benzylpiperidinyl))amino)-4-desoxypodophyllotoxin?
You can request a quote for 4'-O-demethyl-4-((4''-(1''-benzylpiperidinyl))amino)-4-desoxypodophyllotoxin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-O-demethyl-4-((4''-(1''-benzylpiperidinyl))amino)-4-desoxypodophyllotoxin?
Yes, KEHONG BIO provides custom synthesis services for 4'-O-demethyl-4-((4''-(1''-benzylpiperidinyl))amino)-4-desoxypodophyllotoxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.