异氰酸环戊烷
TL;DR: 异氰酸环戊烷 (CAS 4747-71-1) is a chemical compound with molecular formula C22H18N2O and molecular weight 326.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异氰酸环戊烷
2,3-dimethyl-11-phenyl-5H-benzo[c][1,6]benzodiazocin-6-one
Also Known As: Maybridge4_001030, IDI1_031612, BRD-K24168791-001-01-3, 2,3-dimethyl-11-phenyl-5H-benzo[c][1,6]benzodiazocin-6-one
| Molecular Formula | C22H18N2O |
|---|---|
| Molecular Weight | 326.14 g/mol |
| LogP | 5.03824 |
| Topological Polar Surface Area | 41.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 326.1419 |
| Heavy Atoms | 25 |
| Complexity | 1003.7907 |
Chemical Identifiers
| CAS Number | 4747-71-1 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)N=C(C3=CC=CC=C3C(=O)N2)C4=CC=CC=C4 |
Product Overview
异氰酸环戊烷 (CAS 4747-71-1), with molecular formula C22H18N2O and molecular weight 326.14 g/mol. IUPAC: 2,3-dimethyl-11-phenyl-5H-benzo[c][1,6]benzodiazocin-6-one.
Chemical Property Profile of 异氰酸环戊烷
Property Insights of 异氰酸环戊烷
The XLogP value of 5.03824 indicates that 异氰酸环戊烷 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.46 Ų, 异氰酸环戊烷 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 异氰酸环戊烷 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 异氰酸环戊烷?
The CAS number of 异氰酸环戊烷 is 4747-71-1.
What is the molecular formula of 异氰酸环戊烷?
The molecular formula of 异氰酸环戊烷 is C22H18N2O.
What is the molecular weight of 异氰酸环戊烷?
The molecular weight of 异氰酸环戊烷 is 326.14 g/mol.
Where can I buy 异氰酸环戊烷?
You can request a quote for 异氰酸环戊烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异氰酸环戊烷?
Yes, KEHONG BIO provides custom synthesis services for 异氰酸环戊烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.