(C13-H14-N2.C9-H8-O3.C9-H4-O5)x-
TL;DR: (C13-H14-N2.C9-H8-O3.C9-H4-O5)x- (CAS 53368-84-6) is a chemical compound with molecular formula C31H26N2O8 and molecular weight 554.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-aminophenyl)methyl]aniline;1,3-dioxo-2-benzofuran-5-carboxylic acid;(1S,2R,6S,7R)-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Also Known As: (C13-H14-N2.C9-H8-O3.C9-H4-O5)x-, 5-Isobenzofurancarboxylic acid, 1,3-dihydro-1,3-dioxo-, polymer with 4,4'-methylenebis[benzenamine] and rel-(3aR,4S,7R,7aS)-3a,4,7,7a-tetrahydro-4,7-methanoisobenzofuran-1,3-dione, 5-Isobenzofurancarboxylic acid, 1,3-dihydro-1,3-dioxo-, polymer with 4,4'-methylenebis(benzenamine) and rel-(3aR,4S,7R,7aS)-3a,4,7,7a-tetrahydro-4,7-methanoisobenzofuran-1,3-dione, 5-Isobenzofurancarboxylic acid, 1,3-dihydro-1,3-dioxo-, polymer with 4,4'-methylenebis[benzenamine] and (3a.alpha.,4.alpha.,7.alpha.,7a.alpha.)-3a,4,7,7a-tetrahydro-4,7-methanoisobenzofuran-1,3-dione
| Molecular Formula | C31H26N2O8 |
|---|---|
| Molecular Weight | 554.17 g/mol |
| LogP | 3.6453 |
| Topological Polar Surface Area | 176.08 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 554.16895 |
| Heavy Atoms | 41 |
| Complexity | 1505.1011 |
Chemical Identifiers
| CAS Number | 53368-84-6 |
|---|---|
| SMILES | C1[C@@H]2C=C[C@H]1[C@@H]3[C@H]2C(=O)OC3=O.C1=CC(=CC=C1CC2=CC=C(C=C2)N)N.C1=CC2=C(C=C1C(=O)O)C(=O)OC2=O |
Product Overview
(C13-H14-N2.C9-H8-O3.C9-H4-O5)x- (CAS 53368-84-6), with molecular formula C31H26N2O8 and molecular weight 554.17 g/mol. IUPAC: 4-[(4-aminophenyl)methyl]aniline;1,3-dioxo-2-benzofuran-5-carboxylic acid;(1S,2R,6S,7R)-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
Chemical Property Profile of (C13-H14-N2.C9-H8-O3.C9-H4-O5)x-
Property Insights of (C13-H14-N2.C9-H8-O3.C9-H4-O5)x-
The XLogP value of 3.6453 indicates that (C13-H14-N2.C9-H8-O3.C9-H4-O5)x- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 176.08 Ų indicates high polarity, suggesting (C13-H14-N2.C9-H8-O3.C9-H4-O5)x- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (C13-H14-N2.C9-H8-O3.C9-H4-O5)x- 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 (C13-H14-N2.C9-H8-O3.C9-H4-O5)x-?
The CAS number of (C13-H14-N2.C9-H8-O3.C9-H4-O5)x- is 53368-84-6.
What is the molecular formula of (C13-H14-N2.C9-H8-O3.C9-H4-O5)x-?
The molecular formula of (C13-H14-N2.C9-H8-O3.C9-H4-O5)x- is C31H26N2O8.
What is the molecular weight of (C13-H14-N2.C9-H8-O3.C9-H4-O5)x-?
The molecular weight of (C13-H14-N2.C9-H8-O3.C9-H4-O5)x- is 554.17 g/mol.
Where can I buy (C13-H14-N2.C9-H8-O3.C9-H4-O5)x-?
You can request a quote for (C13-H14-N2.C9-H8-O3.C9-H4-O5)x- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (C13-H14-N2.C9-H8-O3.C9-H4-O5)x-?
Yes, KEHONG BIO provides custom synthesis services for (C13-H14-N2.C9-H8-O3.C9-H4-O5)x- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.