BAS 01104546
TL;DR: BAS 01104546 (CAS 305866-35-7) is a chemical compound with molecular formula C15H13BrN4O2 and molecular weight 360.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-4-(3-bromophenyl)-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Also Known As: BAS 01104546, J2.761.845F, A2118/0088877, 6-amino-4-(3-bromophenyl)-3-(methoxymethyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, 6-AMINO-4-(3-BROMOPHENYL)-3-(METHOXYMETHYL)-2H,4H-PYRANO[2,3-C]PYRAZOLE-5-CARBONITRILE
| Molecular Formula | C15H13BrN4O2 |
|---|---|
| Molecular Weight | 360.02 g/mol |
| LogP | 2.53678 |
| Topological Polar Surface Area | 96.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 360.0222 |
| Heavy Atoms | 22 |
| Complexity | 791.0804 |
Chemical Identifiers
| CAS Number | 305866-35-7 |
|---|---|
| SMILES | COCC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC(=CC=C3)Br |
Product Overview
BAS 01104546 (CAS 305866-35-7), with molecular formula C15H13BrN4O2 and molecular weight 360.02 g/mol. IUPAC: 6-amino-4-(3-bromophenyl)-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
Chemical Property Profile of BAS 01104546
Property Insights of BAS 01104546
The XLogP value of 2.53678 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01104546. The TPSA of 96.95 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01104546. Following Lipinski's Rule of Five, BAS 01104546 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 01104546?
The CAS number of BAS 01104546 is 305866-35-7.
What is the molecular formula of BAS 01104546?
The molecular formula of BAS 01104546 is C15H13BrN4O2.
What is the molecular weight of BAS 01104546?
The molecular weight of BAS 01104546 is 360.02 g/mol.
Where can I buy BAS 01104546?
You can request a quote for BAS 01104546 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01104546?
Yes, KEHONG BIO provides custom synthesis services for BAS 01104546 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.