12H-7,11-Nitrilo-6H-dibenzo(b,k)(1,4,7,10,13)pentaoxacycloeicosin, 19,20,22,23-tetrahydro-, compd. with N-methyl-N-nitrosomethanamine (2:1)
TL;DR: 12H-7,11-Nitrilo-6H-dibenzo(b,k)(1,4,7,10,13)pentaoxacycloeicosin, 19,20,22,23-tetrahydro-, compd. with N-methyl-N-nitrosomethanamine (2:1) (CAS 74261-18-0) is a chemical compound with molecular formula C48H60N4O11 and molecular weight 868.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethylnitrous amide;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: 12H-7,11-Nitrilo-6H-dibenzo(b,k)(1,4,7,10,13)pentaoxacycloeicosin, 19,20,22,23-tetrahydro-, compd. with N-methyl-N-nitrosomethanamine (2:1), N,N-Dimethylnitrous amide--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), N,N-dimethylnitrous amide;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 | C48H60N4O11 |
|---|---|
| Molecular Weight | 868.43 g/mol |
| LogP | 7.2194 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 0 |
| Exact Mass | 868.42584 |
| Heavy Atoms | 63 |
| Complexity | 554.0 |
Chemical Identifiers
| CAS Number | 74261-18-0 |
|---|---|
| SMILES | CN(C)N=O.C1CC2COC3=CC=CC=C3OCCOCC4N2C(C1)COC5=CC=CC=C5O4.C1CC2COC3=CC=CC=C3OCCOCC4N2C(C1)COC5=CC=CC=C5O4 |
| InChIKey | MHSMDHLDCCTRIC-UHFFFAOYSA-N |
Product Overview
12H-7,11-Nitrilo-6H-dibenzo(b,k)(1,4,7,10,13)pentaoxacycloeicosin, 19,20,22,23-tetrahydro-, compd. with N-methyl-N-nitrosomethanamine (2:1) (CAS 74261-18-0), with molecular formula C48H60N4O11 and molecular weight 868.43 g/mol. IUPAC: N,N-dimethylnitrous amide;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 12H-7,11-Nitrilo-6H-dibenzo(b,k)(1,4,7,10,13)pentaoxacycloeicosin, 19,20,22,23-tetrahydro-, compd. with N-methyl-N-nitrosomethanamine (2:1)
Property Insights of 12H-7,11-Nitrilo-6H-dibenzo(b,k)(1,4,7,10,13)pentaoxacycloeicosin, 19,20,22,23-tetrahydro-, compd. with N-methyl-N-nitrosomethanamine (2:1)
The XLogP value of 7.2194 indicates that 12H-7,11-Nitrilo-6H-dibenzo(b,k)(1,4,7,10,13)pentaoxacycloeicosin, 19,20,22,23-tetrahydro-, compd. with N-methyl-N-nitrosomethanamine (2:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 12H-7,11-Nitrilo-6H-dibenzo(b,k)(1,4,7,10,13)pentaoxacycloeicosin, 19,20,22,23-tetrahydro-, compd. with N-methyl-N-nitrosomethanamine (2:1). Following Lipinski's Rule of Five, 12H-7,11-Nitrilo-6H-dibenzo(b,k)(1,4,7,10,13)pentaoxacycloeicosin, 19,20,22,23-tetrahydro-, compd. with N-methyl-N-nitrosomethanamine (2:1) 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 12H-7,11-Nitrilo-6H-dibenzo(b,k)(1,4,7,10,13)pentaoxacycloeicosin, 19,20,22,23-tetrahydro-, compd. with N-methyl-N-nitrosomethanamine (2:1)?
The CAS number of 12H-7,11-Nitrilo-6H-dibenzo(b,k)(1,4,7,10,13)pentaoxacycloeicosin, 19,20,22,23-tetrahydro-, compd. with N-methyl-N-nitrosomethanamine (2:1) is 74261-18-0.
What is the molecular formula of 12H-7,11-Nitrilo-6H-dibenzo(b,k)(1,4,7,10,13)pentaoxacycloeicosin, 19,20,22,23-tetrahydro-, compd. with N-methyl-N-nitrosomethanamine (2:1)?
The molecular formula of 12H-7,11-Nitrilo-6H-dibenzo(b,k)(1,4,7,10,13)pentaoxacycloeicosin, 19,20,22,23-tetrahydro-, compd. with N-methyl-N-nitrosomethanamine (2:1) is C48H60N4O11.
What is the molecular weight of 12H-7,11-Nitrilo-6H-dibenzo(b,k)(1,4,7,10,13)pentaoxacycloeicosin, 19,20,22,23-tetrahydro-, compd. with N-methyl-N-nitrosomethanamine (2:1)?
The molecular weight of 12H-7,11-Nitrilo-6H-dibenzo(b,k)(1,4,7,10,13)pentaoxacycloeicosin, 19,20,22,23-tetrahydro-, compd. with N-methyl-N-nitrosomethanamine (2:1) is 868.43 g/mol.
Where can I buy 12H-7,11-Nitrilo-6H-dibenzo(b,k)(1,4,7,10,13)pentaoxacycloeicosin, 19,20,22,23-tetrahydro-, compd. with N-methyl-N-nitrosomethanamine (2:1)?
You can request a quote for 12H-7,11-Nitrilo-6H-dibenzo(b,k)(1,4,7,10,13)pentaoxacycloeicosin, 19,20,22,23-tetrahydro-, compd. with N-methyl-N-nitrosomethanamine (2:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12H-7,11-Nitrilo-6H-dibenzo(b,k)(1,4,7,10,13)pentaoxacycloeicosin, 19,20,22,23-tetrahydro-, compd. with N-methyl-N-nitrosomethanamine (2:1)?
Yes, KEHONG BIO provides custom synthesis services for 12H-7,11-Nitrilo-6H-dibenzo(b,k)(1,4,7,10,13)pentaoxacycloeicosin, 19,20,22,23-tetrahydro-, compd. with N-methyl-N-nitrosomethanamine (2:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.