BAS 00835110
TL;DR: BAS 00835110 (CAS 485389-29-5) is a chemical compound with molecular formula C23H20BrNO4 and molecular weight 453.06 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)-3-methylbutanoic acid
Also Known As: BAS 00835110, 2-(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)-3-methylbutanoic 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)-3-methylbutanoic acid, 2-(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)-3-methylbutanoic acid, 2-(1-bromo-16,19-dioxo-15-azahexacyclo[6.6.4.1<15,18>.0<1,17>.0<2,7>.0<9,14>]n onadeca-2,4,6,9(14),10,12-hexaen-15-yl)-3-methylbutanoic acid
| Molecular Formula | C23H20BrNO4 |
|---|---|
| Molecular Weight | 453.06 g/mol |
| LogP | 3.4944 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 453.05756 |
| Heavy Atoms | 29 |
| Complexity | 1030.5525 |
Chemical Identifiers
| CAS Number | 485389-29-5 |
|---|---|
| SMILES | CC(C)C(C(=O)O)N1C(=O)C2C3C4=CC=CC=C4C(C2C1=O)(C5=CC=CC=C35)Br |
Product Overview
BAS 00835110 (CAS 485389-29-5), with molecular formula C23H20BrNO4 and molecular weight 453.06 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)-3-methylbutanoic acid.
Chemical Property Profile of BAS 00835110
Property Insights of BAS 00835110
The XLogP value of 3.4944 indicates that BAS 00835110 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00835110. Following Lipinski's Rule of Five, BAS 00835110 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 00835110?
The CAS number of BAS 00835110 is 485389-29-5.
What is the molecular formula of BAS 00835110?
The molecular formula of BAS 00835110 is C23H20BrNO4.
What is the molecular weight of BAS 00835110?
The molecular weight of BAS 00835110 is 453.06 g/mol.
Where can I buy BAS 00835110?
You can request a quote for BAS 00835110 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00835110?
Yes, KEHONG BIO provides custom synthesis services for BAS 00835110 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.