2-(2-(Chloroethyl)amino)ethyl dehydroabietate
TL;DR: 2-(2-(Chloroethyl)amino)ethyl dehydroabietate (CAS 53464-61-2) is a chemical compound with molecular formula C24H37Cl2NO2 and molecular weight 441.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1R,4aR,10aS)-1-[2-(2-chloroethylamino)ethyl]-4a-methyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate;hydrochloride
Also Known As: 2-Chloroethylaminoethyl dehydroabietate hydrochloride, 2-(2-(Chloroethyl)amino)ethyl dehydroabietate, Abietic acid, dehydro-, 2-(2-(chloroethyl)amino)ethyl ester, Podocarpa-8,11,13-trien-15-oic acid, 13-isopropyl-, 2-((2-chloroethyl)amino)ethyl ester, hydrochloride, methyl (1R,4aR,10aS)-1-[2-(2-chloroethylamino)ethyl]-4a-methyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate hydrochloride
| Molecular Formula | C24H37Cl2NO2 |
|---|---|
| Molecular Weight | 441.22 g/mol |
| LogP | 5.6137 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 441.22012 |
| Heavy Atoms | 29 |
| Complexity | 539.0 |
Chemical Identifiers
| CAS Number | 53464-61-2 |
|---|---|
| SMILES | CC(C)C1=CC2=C(C=C1)[C@@]3(CCC[C@]([C@H]3CC2)(CCNCCCl)C(=O)OC)C.Cl |
| InChIKey | JEWBEXMTJIVLDE-HQROKSDRSA-N |
Product Overview
2-(2-(Chloroethyl)amino)ethyl dehydroabietate (CAS 53464-61-2), with molecular formula C24H37Cl2NO2 and molecular weight 441.22 g/mol. IUPAC: methyl (1R,4aR,10aS)-1-[2-(2-chloroethylamino)ethyl]-4a-methyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate;hydrochloride.
Chemical Property Profile of 2-(2-(Chloroethyl)amino)ethyl dehydroabietate
Property Insights of 2-(2-(Chloroethyl)amino)ethyl dehydroabietate
The XLogP value of 5.6137 indicates that 2-(2-(Chloroethyl)amino)ethyl dehydroabietate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, 2-(2-(Chloroethyl)amino)ethyl dehydroabietate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-(Chloroethyl)amino)ethyl dehydroabietate has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(2-(Chloroethyl)amino)ethyl dehydroabietate?
The CAS number of 2-(2-(Chloroethyl)amino)ethyl dehydroabietate is 53464-61-2.
What is the molecular formula of 2-(2-(Chloroethyl)amino)ethyl dehydroabietate?
The molecular formula of 2-(2-(Chloroethyl)amino)ethyl dehydroabietate is C24H37Cl2NO2.
What is the molecular weight of 2-(2-(Chloroethyl)amino)ethyl dehydroabietate?
The molecular weight of 2-(2-(Chloroethyl)amino)ethyl dehydroabietate is 441.22 g/mol.
Where can I buy 2-(2-(Chloroethyl)amino)ethyl dehydroabietate?
You can request a quote for 2-(2-(Chloroethyl)amino)ethyl dehydroabietate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-(Chloroethyl)amino)ethyl dehydroabietate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-(Chloroethyl)amino)ethyl dehydroabietate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.