ChemDiv1_008042
TL;DR: ChemDiv1_008042 (CAS 315244-90-7) is a chemical compound with molecular formula C23H21ClN4O3 and molecular weight 436.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-4-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Also Known As: ChemDiv1_008042, BAS 06323124, 6-amino-4-{4-[(2-chlorobenzyl)oxy]-3-ethoxyphenyl}-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, AE-641/40789921, 6-amino-4-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
| Molecular Formula | C23H21ClN4O3 |
|---|---|
| Molecular Weight | 436.13 g/mol |
| LogP | 4.5674 |
| Topological Polar Surface Area | 106.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 436.13022 |
| Heavy Atoms | 31 |
| Complexity | 1195.7726 |
Chemical Identifiers
| CAS Number | 315244-90-7 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C2C(=C(OC3=NNC(=C23)C)N)C#N)OCC4=CC=CC=C4Cl |
Product Overview
ChemDiv1_008042 (CAS 315244-90-7), with molecular formula C23H21ClN4O3 and molecular weight 436.13 g/mol. IUPAC: 6-amino-4-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
Chemical Property Profile of ChemDiv1_008042
Property Insights of ChemDiv1_008042
The XLogP value of 4.5674 indicates that ChemDiv1_008042 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.18 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_008042. Following Lipinski's Rule of Five, ChemDiv1_008042 has 2 hydrogen bond donor(s) and 6 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 ChemDiv1_008042?
The CAS number of ChemDiv1_008042 is 315244-90-7.
What is the molecular formula of ChemDiv1_008042?
The molecular formula of ChemDiv1_008042 is C23H21ClN4O3.
What is the molecular weight of ChemDiv1_008042?
The molecular weight of ChemDiv1_008042 is 436.13 g/mol.
Where can I buy ChemDiv1_008042?
You can request a quote for ChemDiv1_008042 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008042?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008042 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.