Anulcen
TL;DR: Anulcen (CAS 38198-35-5) is a chemical compound with molecular formula C22H35ClN2O3 and molecular weight 410.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2R)-2-pyrrolidin-1-ium-1-ylcyclohexyl] N-(3-pentoxyphenyl)carbamate chloride
Also Known As: Anulcen, Pentacaine hydrochloride, Trapencaine hydrochloride, K-1902, pentacaine hydrochloride, (trans)-isomer
| Molecular Formula | C22H35ClN2O3 |
|---|---|
| Molecular Weight | 410.23 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 410.2336 |
| Heavy Atoms | 28 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 38198-35-5 |
|---|---|
| SMILES | CCCCCOC1=CC=CC(=C1)NC(=O)O[C@@H]2CCCC[C@H]2[NH+]3CCCC3.[Cl-] |
| InChIKey | BSMUOLWVMZUZON-MUCZFFFMSA-N |
Product Overview
Anulcen (CAS 38198-35-5), with molecular formula C22H35ClN2O3 and molecular weight 410.23 g/mol. IUPAC: [(1R,2R)-2-pyrrolidin-1-ium-1-ylcyclohexyl] N-(3-pentoxyphenyl)carbamate chloride.
Chemical Property Profile of Anulcen
Property Insights of Anulcen
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Anulcen. With a topological polar surface area (TPSA) of 52.0 Ų, Anulcen exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Anulcen has 2 hydrogen bond donor(s) and 4 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 Anulcen?
The CAS number of Anulcen is 38198-35-5.
What is the molecular formula of Anulcen?
The molecular formula of Anulcen is C22H35ClN2O3.
What is the molecular weight of Anulcen?
The molecular weight of Anulcen is 410.23 g/mol.
Where can I buy Anulcen?
You can request a quote for Anulcen directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Anulcen?
Yes, KEHONG BIO provides custom synthesis services for Anulcen and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.