BAS 00401673
TL;DR: BAS 00401673 (CAS 311331-47-2) is a chemical compound with molecular formula C23H14Br2N2O2 and molecular weight 507.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,8-dibromo-17-pyridin-4-yl-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 00401673, A1154/0054000, 1,8-dibromo-17-(4-pyridinyl)-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-(pyridin-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 (non-preferred name), 1,8-dibromo-17-pyridin-4-yl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
| Molecular Formula | C23H14Br2N2O2 |
|---|---|
| Molecular Weight | 507.94 g/mol |
| LogP | 4.4914 |
| Topological Polar Surface Area | 50.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 507.9422 |
| Heavy Atoms | 29 |
| Complexity | 1088.7644 |
Chemical Identifiers
| CAS Number | 311331-47-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3(C4C(C2(C5=CC=CC=C53)Br)C(=O)N(C4=O)C6=CC=NC=C6)Br |
Product Overview
BAS 00401673 (CAS 311331-47-2), with molecular formula C23H14Br2N2O2 and molecular weight 507.94 g/mol. IUPAC: 1,8-dibromo-17-pyridin-4-yl-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 00401673
Property Insights of BAS 00401673
The XLogP value of 4.4914 indicates that BAS 00401673 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.27 Ų, BAS 00401673 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00401673 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 00401673?
The CAS number of BAS 00401673 is 311331-47-2.
What is the molecular formula of BAS 00401673?
The molecular formula of BAS 00401673 is C23H14Br2N2O2.
What is the molecular weight of BAS 00401673?
The molecular weight of BAS 00401673 is 507.94 g/mol.
Where can I buy BAS 00401673?
You can request a quote for BAS 00401673 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00401673?
Yes, KEHONG BIO provides custom synthesis services for BAS 00401673 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.