Acetic acid, anhydride, compd. with 19,20,22,23-tetrahydro-12H-7,11-nitrilo-6H-dibenzo(b,k)(1,4,7,10,13)pentaoxacycloeicosin (1:2)
TL;DR: Acetic acid, anhydride, compd. with 19,20,22,23-tetrahydro-12H-7,11-nitrilo-6H-dibenzo(b,k)(1,4,7,10,13)pentaoxacycloeicosin (1:2) (CAS 74261-21-5) is a chemical compound with molecular formula C50H60N2O13 and molecular weight 896.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
acetyl acetate;bis(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: Acetic acid, anhydride, compd. with 19,20,22,23-tetrahydro-12H-7,11-nitrilo-6H-dibenzo(b,k)(1,4,7,10,13)pentaoxacycloeicosin (1:2), Acetic anhydride--1,2,8a,9,11,12,19,20-octahydro-1,20-propano[1,6,3]benzodioxazocino[2,3-f][1,4,10,7]benzotrioxazacyclododecine (1/2), Acetyl acetate;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 | C50H60N2O13 |
|---|---|
| Molecular Weight | 896.41 g/mol |
| LogP | 7.086 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 2 |
| Exact Mass | 896.40955 |
| Heavy Atoms | 65 |
| Complexity | 603.0 |
Chemical Identifiers
| CAS Number | 74261-21-5 |
|---|---|
| SMILES | CC(=O)OC(=O)C.C1CC2COC3=CC=CC=C3OCCOCC4N2C(C1)COC5=CC=CC=C5O4.C1CC2COC3=CC=CC=C3OCCOCC4N2C(C1)COC5=CC=CC=C5O4 |
| InChIKey | BKWWHMTYPANIRW-UHFFFAOYSA-N |
Product Overview
Acetic acid, anhydride, compd. with 19,20,22,23-tetrahydro-12H-7,11-nitrilo-6H-dibenzo(b,k)(1,4,7,10,13)pentaoxacycloeicosin (1:2) (CAS 74261-21-5), with molecular formula C50H60N2O13 and molecular weight 896.41 g/mol. IUPAC: acetyl acetate;bis(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 Acetic acid, anhydride, compd. with 19,20,22,23-tetrahydro-12H-7,11-nitrilo-6H-dibenzo(b,k)(1,4,7,10,13)pentaoxacycloeicosin (1:2)
Property Insights of Acetic acid, anhydride, compd. with 19,20,22,23-tetrahydro-12H-7,11-nitrilo-6H-dibenzo(b,k)(1,4,7,10,13)pentaoxacycloeicosin (1:2)
The XLogP value of 7.086 indicates that Acetic acid, anhydride, compd. with 19,20,22,23-tetrahydro-12H-7,11-nitrilo-6H-dibenzo(b,k)(1,4,7,10,13)pentaoxacycloeicosin (1:2) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.0 Ų indicates high polarity, suggesting Acetic acid, anhydride, compd. with 19,20,22,23-tetrahydro-12H-7,11-nitrilo-6H-dibenzo(b,k)(1,4,7,10,13)pentaoxacycloeicosin (1:2) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acetic acid, anhydride, compd. with 19,20,22,23-tetrahydro-12H-7,11-nitrilo-6H-dibenzo(b,k)(1,4,7,10,13)pentaoxacycloeicosin (1:2) has 0 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acetic acid, anhydride, compd. with 19,20,22,23-tetrahydro-12H-7,11-nitrilo-6H-dibenzo(b,k)(1,4,7,10,13)pentaoxacycloeicosin (1:2)?
The CAS number of Acetic acid, anhydride, compd. with 19,20,22,23-tetrahydro-12H-7,11-nitrilo-6H-dibenzo(b,k)(1,4,7,10,13)pentaoxacycloeicosin (1:2) is 74261-21-5.
What is the molecular formula of Acetic acid, anhydride, compd. with 19,20,22,23-tetrahydro-12H-7,11-nitrilo-6H-dibenzo(b,k)(1,4,7,10,13)pentaoxacycloeicosin (1:2)?
The molecular formula of Acetic acid, anhydride, compd. with 19,20,22,23-tetrahydro-12H-7,11-nitrilo-6H-dibenzo(b,k)(1,4,7,10,13)pentaoxacycloeicosin (1:2) is C50H60N2O13.
What is the molecular weight of Acetic acid, anhydride, compd. with 19,20,22,23-tetrahydro-12H-7,11-nitrilo-6H-dibenzo(b,k)(1,4,7,10,13)pentaoxacycloeicosin (1:2)?
The molecular weight of Acetic acid, anhydride, compd. with 19,20,22,23-tetrahydro-12H-7,11-nitrilo-6H-dibenzo(b,k)(1,4,7,10,13)pentaoxacycloeicosin (1:2) is 896.41 g/mol.
Where can I buy Acetic acid, anhydride, compd. with 19,20,22,23-tetrahydro-12H-7,11-nitrilo-6H-dibenzo(b,k)(1,4,7,10,13)pentaoxacycloeicosin (1:2)?
You can request a quote for Acetic acid, anhydride, compd. with 19,20,22,23-tetrahydro-12H-7,11-nitrilo-6H-dibenzo(b,k)(1,4,7,10,13)pentaoxacycloeicosin (1:2) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, anhydride, compd. with 19,20,22,23-tetrahydro-12H-7,11-nitrilo-6H-dibenzo(b,k)(1,4,7,10,13)pentaoxacycloeicosin (1:2)?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, anhydride, compd. with 19,20,22,23-tetrahydro-12H-7,11-nitrilo-6H-dibenzo(b,k)(1,4,7,10,13)pentaoxacycloeicosin (1:2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.