二氯利索克利米德
TL;DR: 二氯利索克利米德 (CAS 138935-82-7) is a chemical compound with molecular formula C20H29Cl2NO4 and molecular weight 417.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二氯利索克利米德
3-[2-(6,7-dichloro-3-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-1-hydroxyethyl]pyrrolidine-2,5-dione
Also Known As: Dichlorolissoclimide, 3-[2-(6,7-dichloro-3-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-1-hydroxyethyl]pyrrolidine-2,5-dione, 2,5-Pyrrolidinedione, 3-(2-(6,7-dichlorodecahydro-3-hydroxy-5,5,8a-trimethyl-2-methylene-1-naphthalenyl)-1-hydroxyethyl)-, 3-[2-(6,7-Dichloro-3-hydroxy-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl)-1-hydroxyethyl]-5-hydroxy-3,4-dihydro-2H-pyrrol-2-one
| Molecular Formula | C20H29Cl2NO4 |
|---|---|
| Molecular Weight | 417.15 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 86.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 417.14737 |
| Heavy Atoms | 27 |
| Complexity | 666.0 |
Chemical Identifiers
| CAS Number | 138935-82-7 |
|---|---|
| SMILES | CC1(C2CC(C(=C)C(C2(CC(C1Cl)Cl)C)CC(C3CC(=O)NC3=O)O)O)C |
| InChIKey | RXKVVHDLUDIYSP-UHFFFAOYSA-N |
Product Overview
二氯利索克利米德 (CAS 138935-82-7), with molecular formula C20H29Cl2NO4 and molecular weight 417.15 g/mol. IUPAC: 3-[2-(6,7-dichloro-3-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-1-hydroxyethyl]pyrrolidine-2,5-dione.
Chemical Property Profile of 二氯利索克利米德
Property Insights of 二氯利索克利米德
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 二氯利索克利米德. The TPSA of 86.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 二氯利索克利米德. Following Lipinski's Rule of Five, 二氯利索克利米德 has 3 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 二氯利索克利米德?
The CAS number of 二氯利索克利米德 is 138935-82-7.
What is the molecular formula of 二氯利索克利米德?
The molecular formula of 二氯利索克利米德 is C20H29Cl2NO4.
What is the molecular weight of 二氯利索克利米德?
The molecular weight of 二氯利索克利米德 is 417.15 g/mol.
Where can I buy 二氯利索克利米德?
You can request a quote for 二氯利索克利米德 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二氯利索克利米德?
Yes, KEHONG BIO provides custom synthesis services for 二氯利索克利米德 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.