BAS 00818216
TL;DR: BAS 00818216 (CAS 332024-29-0) is a chemical compound with molecular formula C20H14BrNO4 and molecular weight 411.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-bromo-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)acetic acid
Also Known As: BAS 00818216, (1-bromo-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)acetic acid (non-preferred name), 2-(1-Bromo-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)acetic acid, 2-(9-bromo-12,14-dioxo-11,12,14,15-tetrahydro-9H-9,10-[3,4]epipyrroloanthracen-13(10H)-yl)acetic acid, (1-bromo-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)acetic acid
| Molecular Formula | C20H14BrNO4 |
|---|---|
| Molecular Weight | 411.01 g/mol |
| LogP | 2.4698 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 411.01062 |
| Heavy Atoms | 26 |
| Complexity | 953.3106 |
Chemical Identifiers
| CAS Number | 332024-29-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3C4C(C2(C5=CC=CC=C35)Br)C(=O)N(C4=O)CC(=O)O |
Product Overview
BAS 00818216 (CAS 332024-29-0), with molecular formula C20H14BrNO4 and molecular weight 411.01 g/mol. IUPAC: 2-(1-bromo-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)acetic acid.
Chemical Property Profile of BAS 00818216
Property Insights of BAS 00818216
The XLogP value of 2.4698 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00818216. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00818216. Following Lipinski's Rule of Five, BAS 00818216 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00818216?
The CAS number of BAS 00818216 is 332024-29-0.
What is the molecular formula of BAS 00818216?
The molecular formula of BAS 00818216 is C20H14BrNO4.
What is the molecular weight of BAS 00818216?
The molecular weight of BAS 00818216 is 411.01 g/mol.
Where can I buy BAS 00818216?
You can request a quote for BAS 00818216 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00818216?
Yes, KEHONG BIO provides custom synthesis services for BAS 00818216 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.