BAS 00401609
TL;DR: BAS 00401609 (CAS 331425-35-5) is a chemical compound with molecular formula C25H18BrNO2 and molecular weight 443.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17-(4-bromophenyl)-1-methyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
Also Known As: BAS 00401609, 17-(4-bromophenyl)-1-methyl-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione (non-preferred name), 13-(4-bromophenyl)-9-methyl-10,11-dihydro-9H-9,10-[3,4]epipyrroloanthracene-12,14(13H,15H)-dione, 17-(4-bromophenyl)-1-methyl-17-azapentacyclo[6.6.5.0<2,7>.0<9,14>.0<15,19>]non adeca-2(7),3,5,9,11,13-hexaene-16,18-dione, 17-(4-bromophenyl)-1-methyl-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
| Molecular Formula | C25H18BrNO2 |
|---|---|
| Molecular Weight | 443.05 g/mol |
| LogP | 5.0198 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 443.0521 |
| Heavy Atoms | 29 |
| Complexity | 1151.9551 |
Chemical Identifiers
| CAS Number | 331425-35-5 |
|---|---|
| SMILES | CC12C3C(C(C4=CC=CC=C41)C5=CC=CC=C25)C(=O)N(C3=O)C6=CC=C(C=C6)Br |
Product Overview
BAS 00401609 (CAS 331425-35-5), with molecular formula C25H18BrNO2 and molecular weight 443.05 g/mol. IUPAC: 17-(4-bromophenyl)-1-methyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione.
Chemical Property Profile of BAS 00401609
Property Insights of BAS 00401609
The XLogP value of 5.0198 indicates that BAS 00401609 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.38 Ų, BAS 00401609 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00401609 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00401609?
The CAS number of BAS 00401609 is 331425-35-5.
What is the molecular formula of BAS 00401609?
The molecular formula of BAS 00401609 is C25H18BrNO2.
What is the molecular weight of BAS 00401609?
The molecular weight of BAS 00401609 is 443.05 g/mol.
Where can I buy BAS 00401609?
You can request a quote for BAS 00401609 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00401609?
Yes, KEHONG BIO provides custom synthesis services for BAS 00401609 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.