BAS 00489687
TL;DR: BAS 00489687 (CAS 306969-22-2) is a chemical compound with molecular formula C27H26BrNO2 and molecular weight 475.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-bromophenyl)-1-azapentacyclo[10.6.1.03,7.08,19.013,17]nonadeca-5,8,10,12(19),14-pentaene-10-carboxylate
Also Known As: BAS 00489687, ethyl 7-(4-bromophenyl)-3b,6,6a,7,9,9a,10,12a-octahydrocyclopenta[c]cyclopenta[4,5]pyrido[3,2,1-ij]quinoline-2-carboxylate, ethyl 2-(4-bromophenyl)-1-azapentacyclo[10.6.1.03,7.08,19.013,17]nonadeca-5,8,10,12(19),14-pentaene-10-carboxylate, ethyl 7-(4-bromophenyl)-3b,6,6a,7,9,9a,10,12a-octahydrocyclopenta[4,5]pyrido[3,2,1-ij]cyclopenta[c]quinoline-2-carboxylate
| Molecular Formula | C27H26BrNO2 |
|---|---|
| Molecular Weight | 475.11 g/mol |
| LogP | 6.5201 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 475.1147 |
| Heavy Atoms | 31 |
| Complexity | 1085.7147 |
Chemical Identifiers
| CAS Number | 306969-22-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C3C(=C1)C4C=CCC4C(N3CC5C2C=CC5)C6=CC=C(C=C6)Br |
Product Overview
BAS 00489687 (CAS 306969-22-2), with molecular formula C27H26BrNO2 and molecular weight 475.11 g/mol. IUPAC: ethyl 2-(4-bromophenyl)-1-azapentacyclo[10.6.1.03,7.08,19.013,17]nonadeca-5,8,10,12(19),14-pentaene-10-carboxylate.
Chemical Property Profile of BAS 00489687
Property Insights of BAS 00489687
The XLogP value of 6.5201 indicates that BAS 00489687 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, BAS 00489687 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00489687 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00489687?
The CAS number of BAS 00489687 is 306969-22-2.
What is the molecular formula of BAS 00489687?
The molecular formula of BAS 00489687 is C27H26BrNO2.
What is the molecular weight of BAS 00489687?
The molecular weight of BAS 00489687 is 475.11 g/mol.
Where can I buy BAS 00489687?
You can request a quote for BAS 00489687 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00489687?
Yes, KEHONG BIO provides custom synthesis services for BAS 00489687 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.