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Naphtho[2,3-c]furan, benzoic acid deriv.
TL;DR: Naphtho[2,3-c]furan, benzoic acid deriv. (CAS 138355-95-0) is a chemical compound with molecular formula C31H33NO9 and molecular weight 563.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[(3aS,4S,9R,9aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-1-oxo-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-4-yl]amino]benzoate
Also Known As: Naphtho[2,3-c]furan, benzoic acid deriv., (3aS-(3aalpha,4beta,9alpha,9abeta))-4-((1,3,3a,4,9,9a-hexahydro-9-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-1-oxonaphtho(2,3-c)furan-4-yl)amino)benzoic acid, ethyl ester, 6,7-O,O-demethylene-4'-O-demethylepipodophyllotoxin, ethyl 4-[[(3aS,4S,9R,9aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-1-oxo-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-4-yl]amino]benzoate, (3aS)-3abeta,4,9,9aalpha-Tetrahydro-6,7-dimethoxy-4alpha-(4-ethoxycarbonylphenylamino)-9beta-(4-hydroxy-3,5-dimethoxyphenyl)naphtho[2,3-c]furan-1(3H)-one
| Molecular Formula | C31H33NO9 |
|---|---|
| Molecular Weight | 563.22 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 563.2155 |
| Heavy Atoms | 41 |
| Complexity | 881.0 |
Chemical Identifiers
| CAS Number | 138355-95-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N[C@H]2[C@H]3COC(=O)[C@@H]3[C@@H](C4=CC(=C(C=C24)OC)OC)C5=CC(=C(C(=C5)OC)O)OC |
| InChIKey | BWOFWMGBPOUISW-GVQBMFDGSA-N |
Product Overview
Naphtho[2,3-c]furan, benzoic acid deriv. (CAS 138355-95-0), with molecular formula C31H33NO9 and molecular weight 563.22 g/mol. IUPAC: ethyl 4-[[(3aS,4S,9R,9aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-1-oxo-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-4-yl]amino]benzoate.
Chemical Property Profile of Naphtho[2,3-c]furan, benzoic acid deriv.
Property Insights of Naphtho[2,3-c]furan, benzoic acid deriv.
The XLogP value of 4.6 indicates that Naphtho[2,3-c]furan, benzoic acid deriv. is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Naphtho[2,3-c]furan, benzoic acid deriv.. Following Lipinski's Rule of Five, Naphtho[2,3-c]furan, benzoic acid deriv. has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Naphtho[2,3-c]furan, benzoic acid deriv.?
The CAS number of Naphtho[2,3-c]furan, benzoic acid deriv. is 138355-95-0.
What is the molecular formula of Naphtho[2,3-c]furan, benzoic acid deriv.?
The molecular formula of Naphtho[2,3-c]furan, benzoic acid deriv. is C31H33NO9.
What is the molecular weight of Naphtho[2,3-c]furan, benzoic acid deriv.?
The molecular weight of Naphtho[2,3-c]furan, benzoic acid deriv. is 563.22 g/mol.
Where can I buy Naphtho[2,3-c]furan, benzoic acid deriv.?
You can request a quote for Naphtho[2,3-c]furan, benzoic acid deriv. directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Naphtho[2,3-c]furan, benzoic acid deriv.?
Yes, KEHONG BIO provides custom synthesis services for Naphtho[2,3-c]furan, benzoic acid deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.