AB00095442-01
TL;DR: AB00095442-01 (CAS 327100-44-7) is a chemical compound with molecular formula C16H14BrFN4O and molecular weight 376.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-4-(5-bromo-2-fluorophenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Also Known As: AB00095442-01, AN-512/12674106, 6-amino-4-(5-bromo-2-fluorophenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, A2312/0097538, 6-amino-4-(5-bromo-2-fluorophenyl)-3-propyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
| Molecular Formula | C16H14BrFN4O |
|---|---|
| Molecular Weight | 376.03 g/mol |
| LogP | 3.48198 |
| Topological Polar Surface Area | 87.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 376.0335 |
| Heavy Atoms | 23 |
| Complexity | 837.0912 |
Chemical Identifiers
| CAS Number | 327100-44-7 |
|---|---|
| SMILES | CCCC1=C2C(C(=C(OC2=NN1)N)C#N)C3=C(C=CC(=C3)Br)F |
Product Overview
AB00095442-01 (CAS 327100-44-7), with molecular formula C16H14BrFN4O and molecular weight 376.03 g/mol. IUPAC: 6-amino-4-(5-bromo-2-fluorophenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
Chemical Property Profile of AB00095442-01
Property Insights of AB00095442-01
The XLogP value of 3.48198 indicates that AB00095442-01 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 AB00095442-01. Following Lipinski's Rule of Five, AB00095442-01 has 2 hydrogen bond donor(s) and 4 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 AB00095442-01?
The CAS number of AB00095442-01 is 327100-44-7.
What is the molecular formula of AB00095442-01?
The molecular formula of AB00095442-01 is C16H14BrFN4O.
What is the molecular weight of AB00095442-01?
The molecular weight of AB00095442-01 is 376.03 g/mol.
Where can I buy AB00095442-01?
You can request a quote for AB00095442-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00095442-01?
Yes, KEHONG BIO provides custom synthesis services for AB00095442-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.