BAS 00413665
TL;DR: BAS 00413665 (CAS 467241-87-8) is a chemical compound with molecular formula C30H18Br2ClNO2 and molecular weight 616.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,8-dibromo-17-[4-(4-chlorophenyl)phenyl]-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 00413665, 1,8-Dibromo-17-(4'-chloro-4-biphenylyl)-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, 1,8-dibromo-15-[4-(4-chlorophenyl)phenyl]-15-azahexacyclo[6.6.4.1<15,18>.0<1,1 7>.0<2,7>.0<9,14>]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,19-dione, 1,8-dibromo-17-(4'-chloro[1,1'-biphenyl]-4-yl)-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, 1,8-dibromo-17-[4-(4-chlorophenyl)phenyl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
| Molecular Formula | C30H18Br2ClNO2 |
|---|---|
| Molecular Weight | 616.94 g/mol |
| LogP | 7.4168 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 616.9393 |
| Heavy Atoms | 36 |
| Complexity | 1460.0846 |
Chemical Identifiers
| CAS Number | 467241-87-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3(C4C(C2(C5=CC=CC=C53)Br)C(=O)N(C4=O)C6=CC=C(C=C6)C7=CC=C(C=C7)Cl)Br |
Product Overview
BAS 00413665 (CAS 467241-87-8), with molecular formula C30H18Br2ClNO2 and molecular weight 616.94 g/mol. IUPAC: 1,8-dibromo-17-[4-(4-chlorophenyl)phenyl]-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 00413665
Property Insights of BAS 00413665
The XLogP value of 7.4168 indicates that BAS 00413665 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 00413665 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00413665 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 00413665?
The CAS number of BAS 00413665 is 467241-87-8.
What is the molecular formula of BAS 00413665?
The molecular formula of BAS 00413665 is C30H18Br2ClNO2.
What is the molecular weight of BAS 00413665?
The molecular weight of BAS 00413665 is 616.94 g/mol.
Where can I buy BAS 00413665?
You can request a quote for BAS 00413665 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00413665?
Yes, KEHONG BIO provides custom synthesis services for BAS 00413665 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.