Cylindrin-acetat
TL;DR: Cylindrin-acetat (CAS 5595-78-8) is a chemical compound with molecular formula C23H20BrN5O2 and molecular weight 477.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzotriazol-1-yl)-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]propanamide
Also Known As: Cylindrin-acetat, Isoarborinol acetate, 3-(benzotriazol-1-yl)-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]propanamide, (3beta,8beta,13beta,14alpha,17beta,18alpha,21beta)-D, 3-benzotriazol-1-yl-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]propanamide
| Molecular Formula | C23H20BrN5O2 |
|---|---|
| Molecular Weight | 477.08 g/mol |
| LogP | 4.3132 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 477.08005 |
| Heavy Atoms | 31 |
| Complexity | 1221.3087 |
Chemical Identifiers
| CAS Number | 5595-78-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C=NNC(=O)CCN2C3=CC=CC=C3N=N2)OCC4=CC(=CC=C4)Br |
Product Overview
Cylindrin-acetat (CAS 5595-78-8), with molecular formula C23H20BrN5O2 and molecular weight 477.08 g/mol. IUPAC: 3-(benzotriazol-1-yl)-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]propanamide.
Chemical Property Profile of Cylindrin-acetat
Property Insights of Cylindrin-acetat
The XLogP value of 4.3132 indicates that Cylindrin-acetat is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Cylindrin-acetat. Following Lipinski's Rule of Five, Cylindrin-acetat has 1 hydrogen bond donor(s) and 5 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 Cylindrin-acetat?
The CAS number of Cylindrin-acetat is 5595-78-8.
What is the molecular formula of Cylindrin-acetat?
The molecular formula of Cylindrin-acetat is C23H20BrN5O2.
What is the molecular weight of Cylindrin-acetat?
The molecular weight of Cylindrin-acetat is 477.08 g/mol.
Where can I buy Cylindrin-acetat?
You can request a quote for Cylindrin-acetat directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cylindrin-acetat?
Yes, KEHONG BIO provides custom synthesis services for Cylindrin-acetat and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.