Spiro(isobenzofuran-1(3H),9'-(9H)xanthene)-5-carboxylic acid, 6'-(diethylamino)-3-oxo-2'-(phenylamino)-, ethyl ester
TL;DR: Spiro(isobenzofuran-1(3H),9'-(9H)xanthene)-5-carboxylic acid, 6'-(diethylamino)-3-oxo-2'-(phenylamino)-, ethyl ester (CAS 71832-61-6) is a chemical compound with molecular formula C33H30N2O5 and molecular weight 534.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (1R)-2'-anilino-6'-(diethylamino)-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylate
Also Known As: Spiro(isobenzofuran-1(3H),9'-(9H)xanthene)-5-carboxylic acid, 6'-(diethylamino)-3-oxo-2'-(phenylamino)-, ethyl ester, ethyl (1R)-2'-anilino-6'-(diethylamino)-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylate, Ethyl (1R)-2'-anilino-6'-diethylamino-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-5-carboxylate
| Molecular Formula | C33H30N2O5 |
|---|---|
| Molecular Weight | 534.22 g/mol |
| LogP | 7.0211 |
| Topological Polar Surface Area | 77.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 534.21545 |
| Heavy Atoms | 40 |
| Complexity | 1612.9279 |
Chemical Identifiers
| CAS Number | 71832-61-6 |
|---|---|
| SMILES | CCN(CC)C1=CC2=C(C=C1)[C@]3(C4=C(C=C(C=C4)C(=O)OCC)C(=O)O3)C5=C(O2)C=CC(=C5)NC6=CC=CC=C6 |
Product Overview
Spiro(isobenzofuran-1(3H),9'-(9H)xanthene)-5-carboxylic acid, 6'-(diethylamino)-3-oxo-2'-(phenylamino)-, ethyl ester (CAS 71832-61-6), with molecular formula C33H30N2O5 and molecular weight 534.22 g/mol. IUPAC: ethyl (1R)-2'-anilino-6'-(diethylamino)-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylate.
Chemical Property Profile of Spiro(isobenzofuran-1(3H),9'-(9H)xanthene)-5-carboxylic acid, 6'-(diethylamino)-3-oxo-2'-(phenylamino)-, ethyl ester
Property Insights of Spiro(isobenzofuran-1(3H),9'-(9H)xanthene)-5-carboxylic acid, 6'-(diethylamino)-3-oxo-2'-(phenylamino)-, ethyl ester
The XLogP value of 7.0211 indicates that Spiro(isobenzofuran-1(3H),9'-(9H)xanthene)-5-carboxylic acid, 6'-(diethylamino)-3-oxo-2'-(phenylamino)-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Spiro(isobenzofuran-1(3H),9'-(9H)xanthene)-5-carboxylic acid, 6'-(diethylamino)-3-oxo-2'-(phenylamino)-, ethyl ester. Following Lipinski's Rule of Five, Spiro(isobenzofuran-1(3H),9'-(9H)xanthene)-5-carboxylic acid, 6'-(diethylamino)-3-oxo-2'-(phenylamino)-, ethyl ester has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Spiro(isobenzofuran-1(3H),9'-(9H)xanthene)-5-carboxylic acid, 6'-(diethylamino)-3-oxo-2'-(phenylamino)-, ethyl ester?
The CAS number of Spiro(isobenzofuran-1(3H),9'-(9H)xanthene)-5-carboxylic acid, 6'-(diethylamino)-3-oxo-2'-(phenylamino)-, ethyl ester is 71832-61-6.
What is the molecular formula of Spiro(isobenzofuran-1(3H),9'-(9H)xanthene)-5-carboxylic acid, 6'-(diethylamino)-3-oxo-2'-(phenylamino)-, ethyl ester?
The molecular formula of Spiro(isobenzofuran-1(3H),9'-(9H)xanthene)-5-carboxylic acid, 6'-(diethylamino)-3-oxo-2'-(phenylamino)-, ethyl ester is C33H30N2O5.
What is the molecular weight of Spiro(isobenzofuran-1(3H),9'-(9H)xanthene)-5-carboxylic acid, 6'-(diethylamino)-3-oxo-2'-(phenylamino)-, ethyl ester?
The molecular weight of Spiro(isobenzofuran-1(3H),9'-(9H)xanthene)-5-carboxylic acid, 6'-(diethylamino)-3-oxo-2'-(phenylamino)-, ethyl ester is 534.22 g/mol.
Where can I buy Spiro(isobenzofuran-1(3H),9'-(9H)xanthene)-5-carboxylic acid, 6'-(diethylamino)-3-oxo-2'-(phenylamino)-, ethyl ester?
You can request a quote for Spiro(isobenzofuran-1(3H),9'-(9H)xanthene)-5-carboxylic acid, 6'-(diethylamino)-3-oxo-2'-(phenylamino)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spiro(isobenzofuran-1(3H),9'-(9H)xanthene)-5-carboxylic acid, 6'-(diethylamino)-3-oxo-2'-(phenylamino)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Spiro(isobenzofuran-1(3H),9'-(9H)xanthene)-5-carboxylic acid, 6'-(diethylamino)-3-oxo-2'-(phenylamino)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.