BRN 0737095
TL;DR: BRN 0737095 (CAS 70959-44-3) is a chemical compound with molecular formula C26H26N4O9 and molecular weight 538.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-[3-[2-(2-carboxyanilino)-2-oxoethyl]-5,5-diethyl-2,4,6-trioxo-1,3-diazinan-1-yl]acetyl]amino]benzoic acid
Also Known As: 5-24-09-00151 (Beilstein Handbook Reference), Benzoic acid, 2,2'-((dihydro-5,5-diethyl-2,4,6-trioxo-1,3(2H,4H)-pyrimidinediyl)bis((1-oxo-2,1-ethanediyl)imino))bis-, 2,2'-{(5,5-Diethyl-2,4,6-trioxo-1,3-diazinane-1,3-diyl)bis[(1-oxoethane-2,1-diyl)azanediyl]}dibenzoic acid, 2-[[2-[3-[2-(2-carboxyanilino)-2-oxoethyl]-5,5-diethyl-2,4,6-trioxo-1,3-diazinan-1-yl]acetyl]amino]benzoic acid, BRN 0737095
| Molecular Formula | C26H26N4O9 |
|---|---|
| Molecular Weight | 538.17 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 190.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 538.17 |
| Heavy Atoms | 39 |
| Complexity | 951.0 |
Chemical Identifiers
| CAS Number | 70959-44-3 |
|---|---|
| SMILES | CCC1(C(=O)N(C(=O)N(C1=O)CC(=O)NC2=CC=CC=C2C(=O)O)CC(=O)NC3=CC=CC=C3C(=O)O)CC |
| InChIKey | JPPSTJREFBUYLW-UHFFFAOYSA-N |
Product Overview
BRN 0737095 (CAS 70959-44-3), with molecular formula C26H26N4O9 and molecular weight 538.17 g/mol. IUPAC: 2-[[2-[3-[2-(2-carboxyanilino)-2-oxoethyl]-5,5-diethyl-2,4,6-trioxo-1,3-diazinan-1-yl]acetyl]amino]benzoic acid.
Chemical Property Profile of BRN 0737095
Property Insights of BRN 0737095
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BRN 0737095. The TPSA of 190.0 Ų indicates high polarity, suggesting BRN 0737095 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BRN 0737095 has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BRN 0737095?
The CAS number of BRN 0737095 is 70959-44-3.
What is the molecular formula of BRN 0737095?
The molecular formula of BRN 0737095 is C26H26N4O9.
What is the molecular weight of BRN 0737095?
The molecular weight of BRN 0737095 is 538.17 g/mol.
Where can I buy BRN 0737095?
You can request a quote for BRN 0737095 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRN 0737095?
Yes, KEHONG BIO provides custom synthesis services for BRN 0737095 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.