BAS 00609539
TL;DR: BAS 00609539 (CAS 329693-19-8) is a chemical compound with molecular formula C18H13BrN4OS and molecular weight 412.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-4-(5-bromothiophen-2-yl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
Also Known As: BAS 00609539, 6-amino-4-(5-bromo-2-thienyl)-3-methyl-1-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-4-(5-bromothiophen-2-yl)-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-4-(5-bromo(2-thienyl))-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-ca rbonitrile, 6-AMINO-4-(5-BROMO-2-THIENYL)-3-METHYL-1-PHENYL-1,4-DIHYDROPYRANO[2,3-C]PYRAZOL-5-YL CYANIDE
| Molecular Formula | C18H13BrN4OS |
|---|---|
| Molecular Weight | 412.00 g/mol |
| LogP | 4.2229 |
| Topological Polar Surface Area | 76.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 411.99933 |
| Heavy Atoms | 25 |
| Complexity | 1029.276 |
Chemical Identifiers
| CAS Number | 329693-19-8 |
|---|---|
| SMILES | CC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=CC=C(S3)Br)C4=CC=CC=C4 |
Product Overview
BAS 00609539 (CAS 329693-19-8), with molecular formula C18H13BrN4OS and molecular weight 412.00 g/mol. IUPAC: 6-amino-4-(5-bromothiophen-2-yl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile.
Chemical Property Profile of BAS 00609539
Property Insights of BAS 00609539
The XLogP value of 4.2229 indicates that BAS 00609539 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 00609539. Following Lipinski's Rule of Five, BAS 00609539 has 1 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 00609539?
The CAS number of BAS 00609539 is 329693-19-8.
What is the molecular formula of BAS 00609539?
The molecular formula of BAS 00609539 is C18H13BrN4OS.
What is the molecular weight of BAS 00609539?
The molecular weight of BAS 00609539 is 412.00 g/mol.
Where can I buy BAS 00609539?
You can request a quote for BAS 00609539 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00609539?
Yes, KEHONG BIO provides custom synthesis services for BAS 00609539 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.