多卡胺
TL;DR: 多卡胺 (CAS 74639-40-0) is a chemical compound with molecular formula C21H30N2O8S and molecular weight 470.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
多卡胺
[4-[2-[(2-acetamido-4-methylsulfanylbutanoyl)amino]ethyl]-2-ethoxycarbonyloxyphenyl] ethyl carbonate
Also Known As: docarpamine, Docarpamina, Docarpaminum, Docarpamine [INN], Docarpaminum [INN-Latin]
| Molecular Formula | C21H30N2O8S |
|---|---|
| Molecular Weight | 470.17 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 16 |
| Exact Mass | 470.1723 |
| Heavy Atoms | 32 |
| Complexity | 619.0 |
Chemical Identifiers
| CAS Number | 74639-40-0 |
|---|---|
| SMILES | CCOC(=O)OC1=C(C=C(C=C1)CCNC(=O)C(CCSC)NC(=O)C)OC(=O)OCC |
| InChIKey | ZLVMAMIPILWYHQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
多卡胺 (CAS 74639-40-0), with molecular formula C21H30N2O8S and molecular weight 470.17 g/mol. IUPAC: [4-[2-[(2-acetamido-4-methylsulfanylbutanoyl)amino]ethyl]-2-ethoxycarbonyloxyphenyl] ethyl carbonate.
Chemical Property Profile of 多卡胺
Property Insights of 多卡胺
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 多卡胺. The TPSA of 155.0 Ų indicates high polarity, suggesting 多卡胺 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 多卡多巴 has 2 hydrogen bond donor(s) and 9 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 多卡多巴?
The CAS number of 多卡多巴 is 74639-40-0.
What is the molecular formula of 多卡多巴?
The molecular formula of 多卡多巴 is C21H30N2O8S.
What is the molecular weight of 多卡多巴?
The molecular weight of 多卡多巴 is 470.17 g/mol.
Where can I buy 多卡多巴?
You can request a quote for 多卡多巴 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 多卡多巴?
Yes, KEHONG BIO provides custom synthesis services for 多卡多巴 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.