RefChem:79431
TL;DR: RefChem:79431 (CAS 6633-80-3) is a chemical compound with molecular formula C23H27NO5 and molecular weight 397.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,9,17,24,27-pentaoxa-29-azapentacyclo[13.13.1.03,8.011,29.018,23]nonacosa-3,5,7,18,20,22-hexaene
Also Known As: dibenzopyridino-18-crown-6, 1,2,8a,9,11,12,19,20-octahydro-1,20-propano[1,6,3]benzodioxazocino[2,3-f][1,4,10,7]benzotrioxazacyclododecine, 12H-7,11-Nitrilo-6H-dibenzo(b,k)(1,4,7,10,13)pentaoxacycloeicosin, 19,20,22,23-tetrahydro-, 19,20,22,23-Tetrahydro-12H-7,11-nitrilo-6H-dibenzo(b,k)(1,4,7,10,13)pentaoxacycloicosin, 2,9,17,24,27-Pentaoxa-29-azapentacyclo[13.13.1.03,8.011,29.018,23]nonacosa-3,5,7,18,20,22-hexaene
| Molecular Formula | C23H27NO5 |
|---|---|
| Molecular Weight | 397.19 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 397.18893 |
| Heavy Atoms | 29 |
| Complexity | 519.0 |
Chemical Identifiers
| CAS Number | 6633-80-3 |
|---|---|
| SMILES | C1CC2COC3=CC=CC=C3OCCOCC4N2C(C1)COC5=CC=CC=C5O4 |
| InChIKey | ALEAMTPFNLZKMG-UHFFFAOYSA-N |
Product Overview
RefChem:79431 (CAS 6633-80-3), with molecular formula C23H27NO5 and molecular weight 397.19 g/mol. IUPAC: 2,9,17,24,27-pentaoxa-29-azapentacyclo[13.13.1.03,8.011,29.018,23]nonacosa-3,5,7,18,20,22-hexaene.
Chemical Property Profile of RefChem:79431
Property Insights of RefChem:79431
The XLogP value of 4.1 indicates that RefChem:79431 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.4 Ų, RefChem:79431 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:79431 has 0 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 RefChem:79431?
The CAS number of RefChem:79431 is 6633-80-3.
What is the molecular formula of RefChem:79431?
The molecular formula of RefChem:79431 is C23H27NO5.
What is the molecular weight of RefChem:79431?
The molecular weight of RefChem:79431 is 397.19 g/mol.
Where can I buy RefChem:79431?
You can request a quote for RefChem:79431 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:79431?
Yes, KEHONG BIO provides custom synthesis services for RefChem:79431 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.