BAS 00804994
TL;DR: BAS 00804994 (CAS 314763-52-5) is a chemical compound with molecular formula C25H17BrN4O and molecular weight 468.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-4-(4-bromophenyl)-1,3-diphenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
Also Known As: BAS 00804994, 6-amino-4-(4-bromophenyl)-1,3-diphenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, 6-AMINO-4-(4-BROMOPHENYL)-1,3-DIPHENYL-1H,4H-PYRANO[2,3-C]PYRAZOLE-5-CARBONITRILE, 6-amino-4-(4-bromophenyl)-1,3-diphenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-4-(4-bromophenyl)-1,3-diphenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
| Molecular Formula | C25H17BrN4O |
|---|---|
| Molecular Weight | 468.06 g/mol |
| LogP | 5.51998 |
| Topological Polar Surface Area | 76.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 468.05856 |
| Heavy Atoms | 31 |
| Complexity | 1319.957 |
Chemical Identifiers
| CAS Number | 314763-52-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NN(C3=C2C(C(=C(O3)N)C#N)C4=CC=C(C=C4)Br)C5=CC=CC=C5 |
Product Overview
BAS 00804994 (CAS 314763-52-5), with molecular formula C25H17BrN4O and molecular weight 468.06 g/mol. IUPAC: 6-amino-4-(4-bromophenyl)-1,3-diphenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile.
Chemical Property Profile of BAS 00804994
Property Insights of BAS 00804994
The XLogP value of 5.51998 indicates that BAS 00804994 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.86 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00804994. Following Lipinski's Rule of Five, BAS 00804994 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00804994?
The CAS number of BAS 00804994 is 314763-52-5.
What is the molecular formula of BAS 00804994?
The molecular formula of BAS 00804994 is C25H17BrN4O.
What is the molecular weight of BAS 00804994?
The molecular weight of BAS 00804994 is 468.06 g/mol.
Where can I buy BAS 00804994?
You can request a quote for BAS 00804994 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00804994?
Yes, KEHONG BIO provides custom synthesis services for BAS 00804994 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.