ChemDiv1_021163
TL;DR: ChemDiv1_021163 (CAS 371933-72-1) is a chemical compound with molecular formula C29H20BrN3O5 and molecular weight 569.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(5,7-dimethyl-4,6,17-trioxo-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-3(8),9,11,13,15-pentaen-2-yl)phenyl] 4-bromobenzoate
Also Known As: ChemDiv1_021163, BIM-0034568.P001, 4-(1,3-dimethyl-2,4,6-trioxo-2,3,4,5,5a,6-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl 4-bromobenzoate, 4-(1,3-dimethyl-2,4,6-trioxo-1,3,5,5a-tetrahydrobenzo[1',2'-5,1]cyclopenta[3,4 -e]pyrimidino[4,5-b]pyridin-5-yl)phenyl 4-bromobenzoate
| Molecular Formula | C29H20BrN3O5 |
|---|---|
| Molecular Weight | 569.06 g/mol |
| LogP | 4.1445 |
| Topological Polar Surface Area | 99.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 569.05865 |
| Heavy Atoms | 38 |
| Complexity | 1800.3782 |
Chemical Identifiers
| CAS Number | 371933-72-1 |
|---|---|
| SMILES | CN1C2=C(C(C3C(=N2)C4=CC=CC=C4C3=O)C5=CC=C(C=C5)OC(=O)C6=CC=C(C=C6)Br)C(=O)N(C1=O)C |
Product Overview
ChemDiv1_021163 (CAS 371933-72-1), with molecular formula C29H20BrN3O5 and molecular weight 569.06 g/mol. IUPAC: [4-(5,7-dimethyl-4,6,17-trioxo-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-3(8),9,11,13,15-pentaen-2-yl)phenyl] 4-bromobenzoate.
Chemical Property Profile of ChemDiv1_021163
Property Insights of ChemDiv1_021163
The XLogP value of 4.1445 indicates that ChemDiv1_021163 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.73 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_021163. Following Lipinski's Rule of Five, ChemDiv1_021163 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_021163?
The CAS number of ChemDiv1_021163 is 371933-72-1.
What is the molecular formula of ChemDiv1_021163?
The molecular formula of ChemDiv1_021163 is C29H20BrN3O5.
What is the molecular weight of ChemDiv1_021163?
The molecular weight of ChemDiv1_021163 is 569.06 g/mol.
Where can I buy ChemDiv1_021163?
You can request a quote for ChemDiv1_021163 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_021163?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_021163 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.