ChemDiv1_009221
TL;DR: ChemDiv1_009221 (CAS 364384-34-9) is a chemical compound with molecular formula C23H19N5O3S and molecular weight 445.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-4-[3-(1,3-benzoxazol-2-ylsulfanylmethyl)-4-methoxyphenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Also Known As: ChemDiv1_009221, BAS 03352572, AP-964/40915311, 6-amino-4-{3-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-4-(3-((benzo[d]oxazol-2-ylthio)methyl)-4-methoxyphenyl)-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
| Molecular Formula | C23H19N5O3S |
|---|---|
| Molecular Weight | 445.12 g/mol |
| LogP | 4.3784 |
| Topological Polar Surface Area | 122.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 445.12085 |
| Heavy Atoms | 32 |
| Complexity | 1365.3951 |
Chemical Identifiers
| CAS Number | 364384-34-9 |
|---|---|
| SMILES | CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC(=C(C=C3)OC)CSC4=NC5=CC=CC=C5O4 |
Product Overview
ChemDiv1_009221 (CAS 364384-34-9), with molecular formula C23H19N5O3S and molecular weight 445.12 g/mol. IUPAC: 6-amino-4-[3-(1,3-benzoxazol-2-ylsulfanylmethyl)-4-methoxyphenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
Chemical Property Profile of ChemDiv1_009221
Property Insights of ChemDiv1_009221
The XLogP value of 4.3784 indicates that ChemDiv1_009221 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.98 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_009221. Following Lipinski's Rule of Five, ChemDiv1_009221 has 2 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 ChemDiv1_009221?
The CAS number of ChemDiv1_009221 is 364384-34-9.
What is the molecular formula of ChemDiv1_009221?
The molecular formula of ChemDiv1_009221 is C23H19N5O3S.
What is the molecular weight of ChemDiv1_009221?
The molecular weight of ChemDiv1_009221 is 445.12 g/mol.
Where can I buy ChemDiv1_009221?
You can request a quote for ChemDiv1_009221 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_009221?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_009221 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.