RefChem:1089506
TL;DR: RefChem:1089506 (CAS 473-84-7) is a chemical compound with molecular formula C24H39Cl2NO3 and molecular weight 459.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-(2-chloroethyl)ethanamine;methyl 6-hydroxy-4a-methyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydro-1H-phenanthrene-1-carboxylate
Also Known As: EINECS 253-843-3, 12-Hydroxyabietic acid bis(2-chloroethyl)amine, Abietic acid, 12-hydroxy-, bis(2-chloroethyl)amine salt, Podocarpa-7,13-dien-15-oic acid, 12-hydroxy-13-isopropyl-, bis(2-chloroethyl)amine salt, methyl 6-hydroxy-4a-methyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate- 2-chloro-n-(2-chloroethyl)ethanamine(1:1)
| Molecular Formula | C24H39Cl2NO3 |
|---|---|
| Molecular Weight | 459.23 g/mol |
| LogP | 4.9289 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 459.2307 |
| Heavy Atoms | 30 |
| Complexity | 574.0 |
Chemical Identifiers
| CAS Number | 473-84-7 |
|---|---|
| SMILES | CC(C)C1=CC2=CCC3C(CCCC3(C2CC1O)C)C(=O)OC.C(CCl)NCCCl |
| InChIKey | KBUBXXVKSNRYFK-UHFFFAOYSA-N |
Product Overview
RefChem:1089506 (CAS 473-84-7), with molecular formula C24H39Cl2NO3 and molecular weight 459.23 g/mol. IUPAC: 2-chloro-N-(2-chloroethyl)ethanamine;methyl 6-hydroxy-4a-methyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydro-1H-phenanthrene-1-carboxylate.
Chemical Property Profile of RefChem:1089506
Property Insights of RefChem:1089506
The XLogP value of 4.9289 indicates that RefChem:1089506 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.6 Ų, RefChem:1089506 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1089506 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 RefChem:1089506?
The CAS number of RefChem:1089506 is 473-84-7.
What is the molecular formula of RefChem:1089506?
The molecular formula of RefChem:1089506 is C24H39Cl2NO3.
What is the molecular weight of RefChem:1089506?
The molecular weight of RefChem:1089506 is 459.23 g/mol.
Where can I buy RefChem:1089506?
You can request a quote for RefChem:1089506 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1089506?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1089506 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.