beta-CNA
TL;DR: beta-CNA (CAS 67025-98-3) is a chemical compound with molecular formula C24H32Cl2N2O3 and molecular weight 466.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,4aS,7R,7aR,12bS)-7-[bis(2-chloroethyl)amino]-3-(cyclopropylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol
Also Known As: Chlornaltrexamine, beta-Cna, beta-chloronaltrexamine, beta-chlornaltrexamine, alpha-chlornaltrexamine
| Molecular Formula | C24H32Cl2N2O3 |
|---|---|
| Molecular Weight | 466.18 g/mol |
| LogP | 3.1045 |
| Topological Polar Surface Area | 56.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 466.179 |
| Heavy Atoms | 31 |
| Complexity | 874.62555 |
Chemical Identifiers
| CAS Number | 67025-98-3 |
|---|---|
| SMILES | C1C[C@]2([C@H]3CC4=C5[C@@]2(CCN3CC6CC6)[C@H]([C@@H]1N(CCCl)CCCl)OC5=C(C=C4)O)O |
Product Overview
beta-CNA (CAS 67025-98-3), with molecular formula C24H32Cl2N2O3 and molecular weight 466.18 g/mol. IUPAC: (4R,4aS,7R,7aR,12bS)-7-[bis(2-chloroethyl)amino]-3-(cyclopropylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol.
Chemical Property Profile of beta-CNA
Property Insights of beta-CNA
The XLogP value of 3.1045 indicates that beta-CNA is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.17 Ų, beta-CNA exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-CNA has 2 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 beta-CNA?
The CAS number of beta-CNA is 67025-98-3.
What is the molecular formula of beta-CNA?
The molecular formula of beta-CNA is C24H32Cl2N2O3.
What is the molecular weight of beta-CNA?
The molecular weight of beta-CNA is 466.18 g/mol.
Where can I buy beta-CNA?
You can request a quote for beta-CNA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-CNA?
Yes, KEHONG BIO provides custom synthesis services for beta-CNA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.