C27H36N2O9.ClH
TL;DR: C27H36N2O9.ClH (CAS 991-30-0) is a chemical compound with molecular formula C27H37ClN2O9 and molecular weight 568.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-ium-1-yl]propan-2-yl 3,4,5-trimethoxybenzoate chloride
Also Known As: T 134, T-134, Benzoic acid, 3,4,5-trimethoxy-, 1-(4-(3,4,5-trimethoxybenzoyl)piperazzinylmethyl)ethyl ester,hydrochloride, Benzoic acid, 3,4,5-trimethoxy-, 1-methyl-2-(4-(3,4,5-trimethoxybenzoyl)-1-piperazinyl)ethyl ester, monohydrochloride, Benzoic acid, 3,4,5-trimethoxy-, ester with alpha-methyl-4-(3,4,5-trimethoxybenzoyl)-1-piperazineethanol,monohydrochloride
| Molecular Formula | C27H37ClN2O9 |
|---|---|
| Molecular Weight | 568.22 g/mol |
| LogP | -1.67 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 568.21875 |
| Heavy Atoms | 39 |
| Complexity | 720.0 |
Chemical Identifiers
| CAS Number | 991-30-0 |
|---|---|
| SMILES | CC(C[NH+]1CCN(CC1)C(=O)C2=CC(=C(C(=C2)OC)OC)OC)OC(=O)C3=CC(=C(C(=C3)OC)OC)OC.[Cl-] |
| InChIKey | OLWQKSDKYHVLAF-UHFFFAOYSA-N |
Product Overview
C27H36N2O9.ClH (CAS 991-30-0), with molecular formula C27H37ClN2O9 and molecular weight 568.22 g/mol. IUPAC: 1-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-ium-1-yl]propan-2-yl 3,4,5-trimethoxybenzoate chloride.
Chemical Property Profile of C27H36N2O9.ClH
Property Insights of C27H36N2O9.ClH
The XLogP value of -1.67 indicates that C27H36N2O9.ClH is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C27H36N2O9.ClH. Following Lipinski's Rule of Five, C27H36N2O9.ClH 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 C27H36N2O9.ClH?
The CAS number of C27H36N2O9.ClH is 991-30-0.
What is the molecular formula of C27H36N2O9.ClH?
The molecular formula of C27H36N2O9.ClH is C27H37ClN2O9.
What is the molecular weight of C27H36N2O9.ClH?
The molecular weight of C27H36N2O9.ClH is 568.22 g/mol.
Where can I buy C27H36N2O9.ClH?
You can request a quote for C27H36N2O9.ClH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C27H36N2O9.ClH?
Yes, KEHONG BIO provides custom synthesis services for C27H36N2O9.ClH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.