RefChem:95814
TL;DR: RefChem:95814 (CAS 63149-14-4) is a chemical compound with molecular formula C27H25N3O7S and molecular weight 535.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azane;2-[(16-ethoxycarbonyl-14-methyl-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaen-10-yl)amino]-5-methylbenzenesulfonic acid
Also Known As: Sodium spiro(2,2,5-trimethylcyclopentane barbiturate), Sodium 1,1,4-trimethyl-7,9-diazaspiro(4.5)decane-6,8,10-trione, 3H-Dibenz(f,ij)isoquinoline-1-carboxylic acid, 2,7-dihydro-3-methyl-6-((4-methyl-2-sulfophenyl)amino)-2,7-dioxo-, 1-ethyl ester, monoammonium salt, 3H-Naphtho(1,2,3-de)quinoline-1-carboxylic acid, 2,7-dihydro-3-methyl-6-((4-methyl-2-sulfophenyl)amino)-2,7-dioxo-, 1-ethyl ester, ammonium salt (1:1), 3H-Naphtho(1,2,3-de)quinoline-1-carboxylic acid, 2,7-dihydro-3-methyl-6-((4-methyl-2-sulfophenyl)amino)-2,7-dioxo-, 1-ethyl ester, monoammonium salt
| Molecular Formula | C27H25N3O7S |
|---|---|
| Molecular Weight | 535.14 g/mol |
| LogP | 4.39 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 535.1413 |
| Heavy Atoms | 38 |
| Complexity | 1100.0 |
Chemical Identifiers
| CAS Number | 63149-14-4 |
|---|---|
| SMILES | CCOC(=O)C1=C2C3=CC=CC=C3C(=O)C4=C(C=CC(=C42)N(C1=O)C)NC5=C(C=C(C=C5)C)S(=O)(=O)O.N |
| InChIKey | QVXNYPRHFHUQPZ-UHFFFAOYSA-N |
Product Overview
RefChem:95814 (CAS 63149-14-4), with molecular formula C27H25N3O7S and molecular weight 535.14 g/mol. IUPAC: azane;2-[(16-ethoxycarbonyl-14-methyl-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaen-10-yl)amino]-5-methylbenzenesulfonic acid.
Chemical Property Profile of RefChem:95814
Property Insights of RefChem:95814
The XLogP value of 4.39 indicates that RefChem:95814 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:95814. Following Lipinski's Rule of Five, RefChem:95814 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 RefChem:95814?
The CAS number of RefChem:95814 is 63149-14-4.
What is the molecular formula of RefChem:95814?
The molecular formula of RefChem:95814 is C27H25N3O7S.
What is the molecular weight of RefChem:95814?
The molecular weight of RefChem:95814 is 535.14 g/mol.
Where can I buy RefChem:95814?
You can request a quote for RefChem:95814 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:95814?
Yes, KEHONG BIO provides custom synthesis services for RefChem:95814 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.