B-CAP
TL;DR: B-CAP (CAS 6337-43-5) is a chemical compound with molecular formula C22H26O8 and molecular weight 418.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[[4-(3-ethoxy-2-ethoxycarbonyl-3-oxoprop-1-enyl)phenyl]methylidene]propanedioate
Also Known As: B-CAP, UV Absorber-UV 988, Propanedioic acid, 2,2'-(1,4-phenylenedimethylidyne)bis-, tetraethyl ester, Tetraethyl 2,2'-(1,4-phenylenedimethylidyne)bismalonate, p-phenylenediamine-N,N,N',N'-tetraacetate
| Molecular Formula | C22H26O8 |
|---|---|
| Molecular Weight | 418.16 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 14 |
| Exact Mass | 418.16278 |
| Heavy Atoms | 30 |
| Complexity | 571.0 |
Chemical Identifiers
| CAS Number | 6337-43-5 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=CC=C(C=C1)C=C(C(=O)OCC)C(=O)OCC)C(=O)OCC |
| InChIKey | YUOKTNQLLUHUEK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
B-CAP (CAS 6337-43-5), with molecular formula C22H26O8 and molecular weight 418.16 g/mol. IUPAC: diethyl 2-[[4-(3-ethoxy-2-ethoxycarbonyl-3-oxoprop-1-enyl)phenyl]methylidene]propanedioate.
Chemical Property Profile of B-CAP
Property Insights of B-CAP
The XLogP value of 4.2 indicates that B-CAP is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for B-CAP. Following Lipinski's Rule of Five, B-CAP has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of B-CAP?
The CAS number of B-CAP is 6337-43-5.
What is the molecular formula of B-CAP?
The molecular formula of B-CAP is C22H26O8.
What is the molecular weight of B-CAP?
The molecular weight of B-CAP is 418.16 g/mol.
Where can I buy B-CAP?
You can request a quote for B-CAP directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for B-CAP?
Yes, KEHONG BIO provides custom synthesis services for B-CAP and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.