BAS 06900000
TL;DR: BAS 06900000 (CAS 496804-52-5) is a chemical compound with molecular formula C22H18N4O3S and molecular weight 418.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-4-(1,3-benzodioxol-5-yl)-3-[(4-methylphenyl)sulfanylmethyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Also Known As: BAS 06900000, AM-807/14146189, 6-amino-4-(1,3-benzodioxol-5-yl)-3-[(4-methylphenyl)sulfanylmethyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-4-(1,3-benzodioxol-5-yl)-3-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, 4-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-6-amino-3-[(4-methylphenylthio)methyl]-4H -pyrano[2,3-c]pyrazole-5-carbonitrile
| Molecular Formula | C22H18N4O3S |
|---|---|
| Molecular Weight | 418.11 g/mol |
| LogP | 3.9573 |
| Topological Polar Surface Area | 106.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 418.10995 |
| Heavy Atoms | 30 |
| Complexity | 1194.082 |
Chemical Identifiers
| CAS Number | 496804-52-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCC2=C3C(C(=C(OC3=NN2)N)C#N)C4=CC5=C(C=C4)OCO5 |
Product Overview
BAS 06900000 (CAS 496804-52-5), with molecular formula C22H18N4O3S and molecular weight 418.11 g/mol. IUPAC: 6-amino-4-(1,3-benzodioxol-5-yl)-3-[(4-methylphenyl)sulfanylmethyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
Chemical Property Profile of BAS 06900000
Property Insights of BAS 06900000
The XLogP value of 3.9573 indicates that BAS 06900000 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 BAS 06900000. Following Lipinski's Rule of Five, BAS 06900000 has 2 hydrogen bond donor(s) and 7 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 06900000?
The CAS number of BAS 06900000 is 496804-52-5.
What is the molecular formula of BAS 06900000?
The molecular formula of BAS 06900000 is C22H18N4O3S.
What is the molecular weight of BAS 06900000?
The molecular weight of BAS 06900000 is 418.11 g/mol.
Where can I buy BAS 06900000?
You can request a quote for BAS 06900000 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06900000?
Yes, KEHONG BIO provides custom synthesis services for BAS 06900000 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.