BAS 07417163
TL;DR: BAS 07417163 (CAS 330833-76-6) is a chemical compound with molecular formula C15H11ClN4O3 and molecular weight 330.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-4-(4-chloro-1,3-benzodioxol-5-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Also Known As: BAS 07417163, 6-amino-4-(4-chloro-1,3-benzodioxol-5-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-4-(4-chloro(2H-benzo[3,4-d]1,3-dioxolen-5-yl))-3-methyl-4H-pyrano[2,3- c]pyrazole-5-carbonitrile, 6-amino-4-(4-chlorobenzo[d][1,3]dioxol-5-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
| Molecular Formula | C15H11ClN4O3 |
|---|---|
| Molecular Weight | 330.05 g/mol |
| LogP | 2.3184 |
| Topological Polar Surface Area | 106.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 330.05197 |
| Heavy Atoms | 23 |
| Complexity | 896.8574 |
Chemical Identifiers
| CAS Number | 330833-76-6 |
|---|---|
| SMILES | CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=C(C4=C(C=C3)OCO4)Cl |
Product Overview
BAS 07417163 (CAS 330833-76-6), with molecular formula C15H11ClN4O3 and molecular weight 330.05 g/mol. IUPAC: 6-amino-4-(4-chloro-1,3-benzodioxol-5-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
Chemical Property Profile of BAS 07417163
Property Insights of BAS 07417163
The XLogP value of 2.3184 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 07417163. The TPSA of 106.18 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 07417163. Following Lipinski's Rule of Five, BAS 07417163 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 BAS 07417163?
The CAS number of BAS 07417163 is 330833-76-6.
What is the molecular formula of BAS 07417163?
The molecular formula of BAS 07417163 is C15H11ClN4O3.
What is the molecular weight of BAS 07417163?
The molecular weight of BAS 07417163 is 330.05 g/mol.
Where can I buy BAS 07417163?
You can request a quote for BAS 07417163 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 07417163?
Yes, KEHONG BIO provides custom synthesis services for BAS 07417163 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.