CDS1_000875
TL;DR: CDS1_000875 (CAS 1808836-01-2) is a chemical compound with molecular formula C24H20FNO4 and molecular weight 405.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,4S)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid
Also Known As: CDS1_000875, AB00735528-01, (3R,4S)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid, (3R,4S)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid
| Molecular Formula | C24H20FNO4 |
|---|---|
| Molecular Weight | 405.14 g/mol |
| LogP | 4.3998 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 405.13763 |
| Heavy Atoms | 30 |
| Complexity | 1079.1199 |
Chemical Identifiers
| CAS Number | 1808836-01-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)[C@H]2[C@H](C3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)F)C(=O)O |
Product Overview
CDS1_000875 (CAS 1808836-01-2), with molecular formula C24H20FNO4 and molecular weight 405.14 g/mol. IUPAC: (3R,4S)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid.
Chemical Property Profile of CDS1_000875
Property Insights of CDS1_000875
The XLogP value of 4.3998 indicates that CDS1_000875 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for CDS1_000875. Following Lipinski's Rule of Five, CDS1_000875 has 1 hydrogen bond donor(s) and 3 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 CDS1_000875?
The CAS number of CDS1_000875 is 1808836-01-2.
What is the molecular formula of CDS1_000875?
The molecular formula of CDS1_000875 is C24H20FNO4.
What is the molecular weight of CDS1_000875?
The molecular weight of CDS1_000875 is 405.14 g/mol.
Where can I buy CDS1_000875?
You can request a quote for CDS1_000875 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CDS1_000875?
Yes, KEHONG BIO provides custom synthesis services for CDS1_000875 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.