C25H18BrClN4O
TL;DR: C25H18BrClN4O (CAS 836632-33-8) is a chemical compound with molecular formula C25H18BrClN4O and molecular weight 504.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(3-bromophenyl)-4-chloro-11-(4-methylphenyl)-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-(4-methylphenyl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine, 6-(3-bromophenyl)-2-chloro-7-(p-tolyl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine
| Molecular Formula | C25H18BrClN4O |
|---|---|
| Molecular Weight | 504.04 g/mol |
| LogP | 6.56232 |
| Topological Polar Surface Area | 51.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 504.03525 |
| Heavy Atoms | 32 |
| Complexity | 1378.9697 |
Chemical Identifiers
| CAS Number | 836632-33-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2C3=C(C4=C(C=CC(=C4)Cl)OC3C5=CC(=CC=C5)Br)NC6=NC=NN26 |
Product Overview
C25H18BrClN4O (CAS 836632-33-8), with molecular formula C25H18BrClN4O and molecular weight 504.04 g/mol. IUPAC: 9-(3-bromophenyl)-4-chloro-11-(4-methylphenyl)-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 C25H18BrClN4O
Property Insights of C25H18BrClN4O
The XLogP value of 6.56232 indicates that C25H18BrClN4O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.97 Ų, C25H18BrClN4O exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C25H18BrClN4O has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C25H18BrClN4O?
The CAS number of C25H18BrClN4O is 836632-33-8.
What is the molecular formula of C25H18BrClN4O?
The molecular formula of C25H18BrClN4O is C25H18BrClN4O.
What is the molecular weight of C25H18BrClN4O?
The molecular weight of C25H18BrClN4O is 504.04 g/mol.
Where can I buy C25H18BrClN4O?
You can request a quote for C25H18BrClN4O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C25H18BrClN4O?
Yes, KEHONG BIO provides custom synthesis services for C25H18BrClN4O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.