C22H17ClN4O
TL;DR: C22H17ClN4O (CAS 220460-98-0) is a chemical compound with molecular formula C22H17ClN4O and molecular weight 388.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chloro-4-pyrazol-1-ylphenyl)-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl)methanone
Also Known As: (5H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10(11H)-yl)(2-chloro-4-(1H-pyrazol-1-yl)phenyl)Methanone, 671B069, (2-Chloro-4-pyrazol-1-yl-phenyl)(5H,11H-Pyrrolo [2,1-c][1,4]benzodiazepin-10-yl)-methanone, (2-Chloro-4-pyrazol-1-yl-phenyl)(5H,11H-Pyrrolo[2,1-c][1,4]benzodiazepin-10-yl)-methanone, (2-chloro-4-pyrazol-1-ylphenyl)-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl)methanone
| Molecular Formula | C22H17ClN4O |
|---|---|
| Molecular Weight | 388.11 g/mol |
| LogP | 4.5359 |
| Topological Polar Surface Area | 43.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 388.1091 |
| Heavy Atoms | 28 |
| Complexity | 1163.0157 |
Chemical Identifiers
| CAS Number | 220460-98-0 |
|---|---|
| SMILES | C1C2=CC=CC=C2N(CC3=CC=CN31)C(=O)C4=C(C=C(C=C4)N5C=CC=N5)Cl |
Product Overview
C22H17ClN4O (CAS 220460-98-0), with molecular formula C22H17ClN4O and molecular weight 388.11 g/mol. IUPAC: (2-chloro-4-pyrazol-1-ylphenyl)-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl)methanone.
Chemical Property Profile of C22H17ClN4O
Property Insights of C22H17ClN4O
The XLogP value of 4.5359 indicates that C22H17ClN4O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.06 Ų, C22H17ClN4O exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C22H17ClN4O has 0 hydrogen bond donor(s) and 2 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 C22H17ClN4O?
The CAS number of C22H17ClN4O is 220460-98-0.
What is the molecular formula of C22H17ClN4O?
The molecular formula of C22H17ClN4O is C22H17ClN4O.
What is the molecular weight of C22H17ClN4O?
The molecular weight of C22H17ClN4O is 388.11 g/mol.
Where can I buy C22H17ClN4O?
You can request a quote for C22H17ClN4O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C22H17ClN4O?
Yes, KEHONG BIO provides custom synthesis services for C22H17ClN4O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.