BAS 06900946
TL;DR: BAS 06900946 (CAS 488096-30-6) is a chemical compound with molecular formula C21H18N4OS and molecular weight 374.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-4-benzyl-3-(phenylsulfanylmethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Also Known As: BAS 06900946, 6-amino-4-benzyl-3-((phenylthio)methyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-4-benzyl-3-(phenylsulfanylmethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-4-benzyl-3-[(phenylsulfanyl)methyl]-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
| Molecular Formula | C21H18N4OS |
|---|---|
| Molecular Weight | 374.12 g/mol |
| LogP | 4.11458 |
| Topological Polar Surface Area | 87.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 374.12012 |
| Heavy Atoms | 27 |
| Complexity | 1005.66583 |
Chemical Identifiers
| CAS Number | 488096-30-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2C(=C(OC3=NNC(=C23)CSC4=CC=CC=C4)N)C#N |
Product Overview
BAS 06900946 (CAS 488096-30-6), with molecular formula C21H18N4OS and molecular weight 374.12 g/mol. IUPAC: 6-amino-4-benzyl-3-(phenylsulfanylmethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
Chemical Property Profile of BAS 06900946
Property Insights of BAS 06900946
The XLogP value of 4.11458 indicates that BAS 06900946 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.72 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 06900946. Following Lipinski's Rule of Five, BAS 06900946 has 2 hydrogen bond donor(s) and 5 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 06900946?
The CAS number of BAS 06900946 is 488096-30-6.
What is the molecular formula of BAS 06900946?
The molecular formula of BAS 06900946 is C21H18N4OS.
What is the molecular weight of BAS 06900946?
The molecular weight of BAS 06900946 is 374.12 g/mol.
Where can I buy BAS 06900946?
You can request a quote for BAS 06900946 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06900946?
Yes, KEHONG BIO provides custom synthesis services for BAS 06900946 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.