BAS 00413666
TL;DR: BAS 00413666 (CAS 467241-86-7) is a chemical compound with molecular formula C30H18Br3NO3 and molecular weight 676.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,8-dibromo-17-[4-(4-bromophenoxy)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 00413666, 1,8-dibromo-17-[4-(4-bromophenoxy)phenyl]-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-bromophenoxy)phenyl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione, 9,10-dibromo-13-(4-(4-bromophenoxy)phenyl)-10,11-dihydro-9H-9,10-[3,4]epipyrroloanthracene-12,14(13H,15H)-dione
| Molecular Formula | C30H18Br3NO3 |
|---|---|
| Molecular Weight | 676.88 g/mol |
| LogP | 7.6512 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 676.88367 |
| Heavy Atoms | 37 |
| Complexity | 1477.9185 |
Chemical Identifiers
| CAS Number | 467241-86-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3(C4C(C2(C5=CC=CC=C53)Br)C(=O)N(C4=O)C6=CC=C(C=C6)OC7=CC=C(C=C7)Br)Br |
Product Overview
BAS 00413666 (CAS 467241-86-7), with molecular formula C30H18Br3NO3 and molecular weight 676.88 g/mol. IUPAC: 1,8-dibromo-17-[4-(4-bromophenoxy)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 00413666
Property Insights of BAS 00413666
The XLogP value of 7.6512 indicates that BAS 00413666 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.61 Ų, BAS 00413666 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00413666 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 00413666?
The CAS number of BAS 00413666 is 467241-86-7.
What is the molecular formula of BAS 00413666?
The molecular formula of BAS 00413666 is C30H18Br3NO3.
What is the molecular weight of BAS 00413666?
The molecular weight of BAS 00413666 is 676.88 g/mol.
Where can I buy BAS 00413666?
You can request a quote for BAS 00413666 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00413666?
Yes, KEHONG BIO provides custom synthesis services for BAS 00413666 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.