5H-Dibenzo(a,d)cycloheptene, 10,11-dihydro-5-cyano-5-(2-(1-methyl-2-pyrrolidinyl)ethyl)-, benzilate
TL;DR: 5H-Dibenzo(a,d)cycloheptene, 10,11-dihydro-5-cyano-5-(2-(1-methyl-2-pyrrolidinyl)ethyl)-, benzilate (CAS 67196-60-5) is a chemical compound with molecular formula C37H38N2O3 and molecular weight 558.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-2,2-diphenylacetic acid;2-[2-(1-methylpyrrolidin-2-yl)ethyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carbonitrile
Also Known As: 5H-Dibenzo(a,d)cycloheptene, 10,11-dihydro-5-cyano-5-(2-(1-methyl-2-pyrrolidinyl)ethyl)-, benzilate, Benzeneacetic acid, .alpha.-hydroxy-.alpha.-phenyl-, compd. with 10,11-dihydro-5-[2-(1-methyl-2-pyrrolidinyl)ethyl]-5H-dibenzo[a,d]cycloheptene-5-carbonitrile (1:1), Hydroxy(diphenyl)acetic acid--5-[2-(1-methylpyrrolidin-2-yl)ethyl]-10,11-dihydro-5H-dibenzo[a,d][7]annulene-5-carbonitrile (1/1), Hydroxydi(phenyl)acetic acid--5-[2-(1-methylpyrrolidin-2-yl)ethyl]-10,11-dihydro-5H-dibenzo[a,d][7]annulene-5-carbonitrile (1/1), RefChem:305564
| Molecular Formula | C37H38N2O3 |
|---|---|
| Molecular Weight | 558.29 g/mol |
| LogP | 6.47638 |
| Topological Polar Surface Area | 84.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 558.28827 |
| Heavy Atoms | 42 |
| Complexity | 1457.2968 |
Chemical Identifiers
| CAS Number | 67196-60-5 |
|---|---|
| SMILES | CN1CCCC1CCC2(C3=CC=CC=C3CCC4=CC=CC=C42)C#N.C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)O)O |
Product Overview
5H-Dibenzo(a,d)cycloheptene, 10,11-dihydro-5-cyano-5-(2-(1-methyl-2-pyrrolidinyl)ethyl)-, benzilate (CAS 67196-60-5), with molecular formula C37H38N2O3 and molecular weight 558.29 g/mol. IUPAC: 2-hydroxy-2,2-diphenylacetic acid;2-[2-(1-methylpyrrolidin-2-yl)ethyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carbonitrile.
Chemical Property Profile of 5H-Dibenzo(a,d)cycloheptene, 10,11-dihydro-5-cyano-5-(2-(1-methyl-2-pyrrolidinyl)ethyl)-, benzilate
Property Insights of 5H-Dibenzo(a,d)cycloheptene, 10,11-dihydro-5-cyano-5-(2-(1-methyl-2-pyrrolidinyl)ethyl)-, benzilate
The XLogP value of 6.47638 indicates that 5H-Dibenzo(a,d)cycloheptene, 10,11-dihydro-5-cyano-5-(2-(1-methyl-2-pyrrolidinyl)ethyl)-, benzilate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 5H-Dibenzo(a,d)cycloheptene, 10,11-dihydro-5-cyano-5-(2-(1-methyl-2-pyrrolidinyl)ethyl)-, benzilate. Following Lipinski's Rule of Five, 5H-Dibenzo(a,d)cycloheptene, 10,11-dihydro-5-cyano-5-(2-(1-methyl-2-pyrrolidinyl)ethyl)-, benzilate has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5H-Dibenzo(a,d)cycloheptene, 10,11-dihydro-5-cyano-5-(2-(1-methyl-2-pyrrolidinyl)ethyl)-, benzilate?
The CAS number of 5H-Dibenzo(a,d)cycloheptene, 10,11-dihydro-5-cyano-5-(2-(1-methyl-2-pyrrolidinyl)ethyl)-, benzilate is 67196-60-5.
What is the molecular formula of 5H-Dibenzo(a,d)cycloheptene, 10,11-dihydro-5-cyano-5-(2-(1-methyl-2-pyrrolidinyl)ethyl)-, benzilate?
The molecular formula of 5H-Dibenzo(a,d)cycloheptene, 10,11-dihydro-5-cyano-5-(2-(1-methyl-2-pyrrolidinyl)ethyl)-, benzilate is C37H38N2O3.
What is the molecular weight of 5H-Dibenzo(a,d)cycloheptene, 10,11-dihydro-5-cyano-5-(2-(1-methyl-2-pyrrolidinyl)ethyl)-, benzilate?
The molecular weight of 5H-Dibenzo(a,d)cycloheptene, 10,11-dihydro-5-cyano-5-(2-(1-methyl-2-pyrrolidinyl)ethyl)-, benzilate is 558.29 g/mol.
Where can I buy 5H-Dibenzo(a,d)cycloheptene, 10,11-dihydro-5-cyano-5-(2-(1-methyl-2-pyrrolidinyl)ethyl)-, benzilate?
You can request a quote for 5H-Dibenzo(a,d)cycloheptene, 10,11-dihydro-5-cyano-5-(2-(1-methyl-2-pyrrolidinyl)ethyl)-, benzilate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5H-Dibenzo(a,d)cycloheptene, 10,11-dihydro-5-cyano-5-(2-(1-methyl-2-pyrrolidinyl)ethyl)-, benzilate?
Yes, KEHONG BIO provides custom synthesis services for 5H-Dibenzo(a,d)cycloheptene, 10,11-dihydro-5-cyano-5-(2-(1-methyl-2-pyrrolidinyl)ethyl)-, benzilate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.