C23H15BrClN5O
TL;DR: C23H15BrClN5O (CAS 877802-89-6) is a chemical compound with molecular formula C23H15BrClN5O and molecular weight 491.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(3-bromophenyl)-4-chloro-11-pyridin-3-yl-8-oxa-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene
Also Known As: 6-(3-bromophenyl)-2-chloro-7-(pyridin-3-yl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine
| Molecular Formula | C23H15BrClN5O |
|---|---|
| Molecular Weight | 491.01 g/mol |
| LogP | 5.6489 |
| Topological Polar Surface Area | 64.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 491.01486 |
| Heavy Atoms | 31 |
| Complexity | 1336.8185 |
Chemical Identifiers
| CAS Number | 877802-89-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Br)C2C3=C(C4=C(O2)C=CC(=C4)Cl)NC5=NC=NN5C3C6=CN=CC=C6 |
Product Overview
C23H15BrClN5O (CAS 877802-89-6), with molecular formula C23H15BrClN5O and molecular weight 491.01 g/mol. IUPAC: 9-(3-bromophenyl)-4-chloro-11-pyridin-3-yl-8-oxa-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene.
Chemical Property Profile of C23H15BrClN5O
Property Insights of C23H15BrClN5O
The XLogP value of 5.6489 indicates that C23H15BrClN5O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.86 Ų falls within the moderate polarity range, balancing permeability and solubility for C23H15BrClN5O. Following Lipinski's Rule of Five, C23H15BrClN5O has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C23H15BrClN5O?
The CAS number of C23H15BrClN5O is 877802-89-6.
What is the molecular formula of C23H15BrClN5O?
The molecular formula of C23H15BrClN5O is C23H15BrClN5O.
What is the molecular weight of C23H15BrClN5O?
The molecular weight of C23H15BrClN5O is 491.01 g/mol.
Where can I buy C23H15BrClN5O?
You can request a quote for C23H15BrClN5O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C23H15BrClN5O?
Yes, KEHONG BIO provides custom synthesis services for C23H15BrClN5O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.