BAS 01104666
TL;DR: BAS 01104666 (CAS 309926-96-3) is a chemical compound with molecular formula C18H15ClN6O and molecular weight 366.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Also Known As: BAS 01104666, A2128/0089352, 6-amino-4-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, 6-Amino-4-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-3-methyl-2,4-dihydro-pyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
| Molecular Formula | C18H15ClN6O |
|---|---|
| Molecular Weight | 366.10 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 366.09958 |
| Heavy Atoms | 26 |
| Complexity | 626.0 |
Chemical Identifiers
| CAS Number | 309926-96-3 |
|---|---|
| SMILES | CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=C(N(N=C3C)C4=CC=CC=C4)Cl |
| InChIKey | KCGMCKBTYPWZOI-UHFFFAOYSA-N |
Product Overview
BAS 01104666 (CAS 309926-96-3), with molecular formula C18H15ClN6O and molecular weight 366.10 g/mol. IUPAC: 6-amino-4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
Chemical Property Profile of BAS 01104666
Property Insights of BAS 01104666
The XLogP value of 3.7 indicates that BAS 01104666 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01104666. Following Lipinski's Rule of Five, BAS 01104666 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 01104666?
The CAS number of BAS 01104666 is 309926-96-3.
What is the molecular formula of BAS 01104666?
The molecular formula of BAS 01104666 is C18H15ClN6O.
What is the molecular weight of BAS 01104666?
The molecular weight of BAS 01104666 is 366.10 g/mol.
Where can I buy BAS 01104666?
You can request a quote for BAS 01104666 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01104666?
Yes, KEHONG BIO provides custom synthesis services for BAS 01104666 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.