BRN 0729365
TL;DR: BRN 0729365 (CAS 70959-39-6) is a chemical compound with molecular formula C22H21N3O6 and molecular weight 423.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(5-ethyl-3-methyl-2,4,6-trioxo-5-phenyl-1,3-diazinan-1-yl)acetyl]amino]benzoic acid
Also Known As: 5-24-09-00305 (Beilstein Handbook Reference), Benzoic acid, 2-(((tetrahydro-5-ethyl-3-methyl-5-phenyl-2,4,6-trioxo-1(2H)-pyrimidinyl)acetyl)amino)-, 2-[[2-(5-ethyl-3-methyl-2,4,6-trioxo-5-phenyl-1,3-diazinan-1-yl)acetyl]amino]benzoic acid, 2-{[2-(5-Ethyl-3-methyl-2,4,6-trioxo-5-phenyl-1,3-diazinan-1-yl)-1-hydroxyethylidene]amino}benzoic acid, BRN 0729365
| Molecular Formula | C22H21N3O6 |
|---|---|
| Molecular Weight | 423.14 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 423.14304 |
| Heavy Atoms | 31 |
| Complexity | 762.0 |
Chemical Identifiers
| CAS Number | 70959-39-6 |
|---|---|
| SMILES | CCC1(C(=O)N(C(=O)N(C1=O)CC(=O)NC2=CC=CC=C2C(=O)O)C)C3=CC=CC=C3 |
| InChIKey | SFKUQHZMACOMAZ-UHFFFAOYSA-N |
Product Overview
BRN 0729365 (CAS 70959-39-6), with molecular formula C22H21N3O6 and molecular weight 423.14 g/mol. IUPAC: 2-[[2-(5-ethyl-3-methyl-2,4,6-trioxo-5-phenyl-1,3-diazinan-1-yl)acetyl]amino]benzoic acid.
Chemical Property Profile of BRN 0729365
Property Insights of BRN 0729365
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BRN 0729365. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BRN 0729365. Following Lipinski's Rule of Five, BRN 0729365 has 2 hydrogen bond donor(s) and 6 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 BRN 0729365?
The CAS number of BRN 0729365 is 70959-39-6.
What is the molecular formula of BRN 0729365?
The molecular formula of BRN 0729365 is C22H21N3O6.
What is the molecular weight of BRN 0729365?
The molecular weight of BRN 0729365 is 423.14 g/mol.
Where can I buy BRN 0729365?
You can request a quote for BRN 0729365 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRN 0729365?
Yes, KEHONG BIO provides custom synthesis services for BRN 0729365 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.