Caroate
TL;DR: Caroate (CAS 103288-43-3) is a chemical compound with molecular formula C20H18NO4+ and molecular weight 336.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
15,16-dimethoxy-20-methyl-5,7-dioxa-20-azoniapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17,19-octaene
Also Known As: Caroate, dimethoxy(methyl)[?], 2,3-Dmmii, NCI60_003003, {12H-[1,3]Dioxolo[5,6]indeno[1,2-c]isoquinolinium,} 2, 3-dimethoxy-6-methyl-, chloride
| Molecular Formula | C20H18NO4+ |
|---|---|
| Molecular Weight | 336.12 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 40.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 336.1236 |
| Heavy Atoms | 25 |
| Complexity | 502.0 |
Chemical Identifiers
| CAS Number | 103288-43-3 |
|---|---|
| SMILES | C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC5=C(C=C4C3)OCO5)OC)OC |
| InChIKey | BNZWWTDWUHRJGM-UHFFFAOYSA-N |
Product Overview
Caroate (CAS 103288-43-3), with molecular formula C20H18NO4+ and molecular weight 336.12 g/mol. IUPAC: 15,16-dimethoxy-20-methyl-5,7-dioxa-20-azoniapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17,19-octaene.
Chemical Property Profile of Caroate
Property Insights of Caroate
The XLogP value of 3.7 indicates that Caroate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.8 Ų, Caroate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Caroate has 0 hydrogen bond donor(s) and 4 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 Caroate?
The CAS number of Caroate is 103288-43-3.
What is the molecular formula of Caroate?
The molecular formula of Caroate is C20H18NO4+.
What is the molecular weight of Caroate?
The molecular weight of Caroate is 336.12 g/mol.
Where can I buy Caroate?
You can request a quote for Caroate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Caroate?
Yes, KEHONG BIO provides custom synthesis services for Caroate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.