普谷美他辛
TL;DR: 普谷美他辛 (CAS 57132-53-3) is a chemical compound with molecular formula C46H58ClN5O8 and molecular weight 843.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
普谷美他辛
3-[4-[2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxyethyl]piperazin-1-yl]propyl 4-benzamido-5-(dipropylamino)-5-oxopentanoate
Also Known As: PROGLUMETACIN, Proglumetacina, Proglumetacine, Proglumetacinum, Protacine
| Molecular Formula | C46H58ClN5O8 |
|---|---|
| Molecular Weight | 843.40 g/mol |
| LogP | 7.3 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 23 |
| Exact Mass | 843.3974 |
| Heavy Atoms | 60 |
| Complexity | 1360.0 |
Chemical Identifiers
| CAS Number | 57132-53-3 |
|---|---|
| SMILES | CCCN(CCC)C(=O)C(CCC(=O)OCCCN1CCN(CC1)CCOC(=O)CC2=C(N(C3=C2C=C(C=C3)OC)C(=O)C4=CC=C(C=C4)Cl)C)NC(=O)C5=CC=CC=C5 |
| InChIKey | PTXGHCGBYMQQIG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
普谷美他辛 (CAS 57132-53-3), with molecular formula C46H58ClN5O8 and molecular weight 843.40 g/mol. IUPAC: 3-[4-[2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxyethyl]piperazin-1-yl]propyl 4-benzamido-5-(dipropylamino)-5-oxopentanoate.
Chemical Property Profile of 普谷美他辛
Property Insights of 普谷美他辛
The XLogP value of 7.3 indicates that 普谷美他辛 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 140.0 Ų indicates high polarity, suggesting 普谷美他辛 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 普谷美他辛 has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 普谷美他辛?
The CAS number of 普谷美他辛 is 57132-53-3.
What is the molecular formula of 普谷美他辛?
The molecular formula of 普谷美他辛 is C46H58ClN5O8.
What is the molecular weight of 普谷美他辛?
The molecular weight of 普谷美他辛 is 843.40 g/mol.
Where can I buy 普谷美他辛?
You can request a quote for 普谷美他辛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 普谷美他辛?
Yes, KEHONG BIO provides custom synthesis services for 普谷美他辛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.