BAS 00087245
TL;DR: BAS 00087245 (CAS 300667-68-9) is a chemical compound with molecular formula C23H26BrNO5 and molecular weight 475.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4-(6-bromo-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: BAS 00087245, Isopropyl 4-(6-bromobenzo[d][1,3]dioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, propan-2-yl 4-(6-bromo-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 4-(6-Bromo-benzo[1,3]dioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylic acid isopropyl ester, ISOPROPYL 4-(6-BROMO-2H-1,3-BENZODIOXOL-5-YL)-2,7,7-TRIMETHYL-5-OXO-1,4,6,8-TETRAHYDROQUINOLINE-3-CARBOXYLATE
| Molecular Formula | C23H26BrNO5 |
|---|---|
| Molecular Weight | 475.10 g/mol |
| LogP | 4.7334 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 475.09943 |
| Heavy Atoms | 30 |
| Complexity | 1005.091 |
Chemical Identifiers
| CAS Number | 300667-68-9 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC4=C(C=C3Br)OCO4)C(=O)OC(C)C |
Product Overview
BAS 00087245 (CAS 300667-68-9), with molecular formula C23H26BrNO5 and molecular weight 475.10 g/mol. IUPAC: propan-2-yl 4-(6-bromo-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of BAS 00087245
Property Insights of BAS 00087245
The XLogP value of 4.7334 indicates that BAS 00087245 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00087245. Following Lipinski's Rule of Five, BAS 00087245 has 1 hydrogen bond donor(s) and 6 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 00087245?
The CAS number of BAS 00087245 is 300667-68-9.
What is the molecular formula of BAS 00087245?
The molecular formula of BAS 00087245 is C23H26BrNO5.
What is the molecular weight of BAS 00087245?
The molecular weight of BAS 00087245 is 475.10 g/mol.
Where can I buy BAS 00087245?
You can request a quote for BAS 00087245 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00087245?
Yes, KEHONG BIO provides custom synthesis services for BAS 00087245 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.