J2.223.622I
TL;DR: J2.223.622I (CAS 749920-62-5) is a chemical compound with molecular formula C23H27ClN6O and molecular weight 438.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-(chloromethyl)-7-piperidin-1-ylspiro[13-oxa-2,4,6,15-tetrazatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,14-pentaene-3,1'-cyclohexane]-8-carbonitrile
Also Known As: J2.223.622I, 12'-(chloromethyl)-7'-(piperidin-1-yl)-13'-oxa-2',4',6',15'-tetraazaspiro[cyclohexane-1,3'-tetracyclo[7.6.1.05,16.010,14]hexadecane]-1'(16'),5',7',9',14'-pentaene-8'-carbonitrile, 2-Piperidino-9-(chloromethyl)spiro[4,9,10-trihydro-8-oxa-3,4,6,7-tetraazacyclopenta[a]phenalene-5(6H),1 -cyclohexane]-1-carbonitrile, 2-Piperidino-9-(chloromethyl)spiro[4,9,10-trihydro-8-oxa-3,4,6,7-tetraazacyclopenta[a]phenalene-5(6H),1'-cyclohexane]-1-carbonitrile, 9a(2)-(Chloromethyl)-9a(2),10a(2)-dihydro-2a(2)-(1-piperidinyl)spiro[cyclohexane-1,5a(2)(6a(2)H)-[4H]furo[2,3-c]pyrimido[4,5,6-ij][2,7]naphthyridine]-1a(2)-carbonitrile
| Molecular Formula | C23H27ClN6O |
|---|---|
| Molecular Weight | 438.19 g/mol |
| LogP | 4.53188 |
| Topological Polar Surface Area | 86.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 438.19348 |
| Heavy Atoms | 31 |
| Complexity | 1084.1339 |
Chemical Identifiers
| CAS Number | 749920-62-5 |
|---|---|
| SMILES | C1CCC2(CC1)NC3=C4C(=C5CC(OC5=N3)CCl)C(=C(N=C4N2)N6CCCCC6)C#N |
Product Overview
J2.223.622I (CAS 749920-62-5), with molecular formula C23H27ClN6O and molecular weight 438.19 g/mol. IUPAC: 12-(chloromethyl)-7-piperidin-1-ylspiro[13-oxa-2,4,6,15-tetrazatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,14-pentaene-3,1'-cyclohexane]-8-carbonitrile.
Chemical Property Profile of J2.223.622I
Property Insights of J2.223.622I
The XLogP value of 4.53188 indicates that J2.223.622I is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.1 Ų falls within the moderate polarity range, balancing permeability and solubility for J2.223.622I. Following Lipinski's Rule of Five, J2.223.622I has 2 hydrogen bond donor(s) and 7 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 J2.223.622I?
The CAS number of J2.223.622I is 749920-62-5.
What is the molecular formula of J2.223.622I?
The molecular formula of J2.223.622I is C23H27ClN6O.
What is the molecular weight of J2.223.622I?
The molecular weight of J2.223.622I is 438.19 g/mol.
Where can I buy J2.223.622I?
You can request a quote for J2.223.622I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J2.223.622I?
Yes, KEHONG BIO provides custom synthesis services for J2.223.622I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.