BAS 00666585
TL;DR: BAS 00666585 (CAS 81829-61-0) is a chemical compound with molecular formula C18H17BrN2O2 and molecular weight 372.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(3-bromophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
Also Known As: BAS 00666585, 2-amino-4-(3-bromophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, J2.383.894J, AB00074087-01, AB00074087-03
| Molecular Formula | C18H17BrN2O2 |
|---|---|
| Molecular Weight | 372.05 g/mol |
| LogP | 3.89998 |
| Topological Polar Surface Area | 76.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 372.04733 |
| Heavy Atoms | 23 |
| Complexity | 799.48474 |
Chemical Identifiers
| CAS Number | 81829-61-0 |
|---|---|
| SMILES | CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC(=CC=C3)Br)C(=O)C1)C |
Product Overview
BAS 00666585 (CAS 81829-61-0), with molecular formula C18H17BrN2O2 and molecular weight 372.05 g/mol. IUPAC: 2-amino-4-(3-bromophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile.
Chemical Property Profile of BAS 00666585
Property Insights of BAS 00666585
The XLogP value of 3.89998 indicates that BAS 00666585 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.11 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00666585. Following Lipinski's Rule of Five, BAS 00666585 has 1 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 BAS 00666585?
The CAS number of BAS 00666585 is 81829-61-0.
What is the molecular formula of BAS 00666585?
The molecular formula of BAS 00666585 is C18H17BrN2O2.
What is the molecular weight of BAS 00666585?
The molecular weight of BAS 00666585 is 372.05 g/mol.
Where can I buy BAS 00666585?
You can request a quote for BAS 00666585 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00666585?
Yes, KEHONG BIO provides custom synthesis services for BAS 00666585 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.