C22H27N5O2.1/2H2O
TL;DR: C22H27N5O2.1/2H2O (CAS 83948-03-2) is a chemical compound with molecular formula C22H27N5O2 and molecular weight 393.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-hydroxyethyl-[3-[(2-methyl-6,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaen-7-yl)amino]propyl]amino]ethanol
Also Known As: C22H27N5O2.1/2H2O, C22-H27-N5-O2.1/2H2-O, Ethanol, 2,2'-((3-((6-methyl-5H-pyrido(3',4':4,5)pyrrolo(2,3-g)isoquinolin-10-yl)amino)propyl)imino)di-, hydrate (2:1), 2,2'-({3-[(6-Methyl-5H-pyrido[3',4':4,5]pyrrolo[2,3-g]isoquinolin-10-yl)amino]propyl}azanediyl)di(ethan-1-ol), RefChem:340669
| Molecular Formula | C22H27N5O2 |
|---|---|
| Molecular Weight | 393.22 g/mol |
| LogP | 2.66132 |
| Topological Polar Surface Area | 97.3 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 393.21646 |
| Heavy Atoms | 29 |
| Complexity | 1118.497 |
Chemical Identifiers
| CAS Number | 83948-03-2 |
|---|---|
| SMILES | CC1=C2C=CN=C(C2=CC3=C1NC4=C3C=NC=C4)NCCCN(CCO)CCO |
Product Overview
C22H27N5O2.1/2H2O (CAS 83948-03-2), with molecular formula C22H27N5O2 and molecular weight 393.22 g/mol. IUPAC: 2-[2-hydroxyethyl-[3-[(2-methyl-6,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaen-7-yl)amino]propyl]amino]ethanol.
Chemical Property Profile of C22H27N5O2.1/2H2O
Property Insights of C22H27N5O2.1/2H2O
The XLogP value of 2.66132 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C22H27N5O2.1/2H2O. The TPSA of 97.3 Ų falls within the moderate polarity range, balancing permeability and solubility for C22H27N5O2.1/2H2O. Following Lipinski's Rule of Five, C22H27N5O2.1/2H2O has 4 hydrogen bond donor(s) and 6 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 C22H27N5O2.1/2H2O?
The CAS number of C22H27N5O2.1/2H2O is 83948-03-2.
What is the molecular formula of C22H27N5O2.1/2H2O?
The molecular formula of C22H27N5O2.1/2H2O is C22H27N5O2.
What is the molecular weight of C22H27N5O2.1/2H2O?
The molecular weight of C22H27N5O2.1/2H2O is 393.22 g/mol.
Where can I buy C22H27N5O2.1/2H2O?
You can request a quote for C22H27N5O2.1/2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C22H27N5O2.1/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C22H27N5O2.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.