RefChem:1056636
TL;DR: RefChem:1056636 (CAS 81402-51-9) is a chemical compound with molecular formula C31H43N3O12 and molecular weight 649.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tris((E)-but-2-enedioic acid);4-[4-(cyclopropylmethyl)-3-methylpiperazin-1-yl]-1-methyl-3,4,4a,8a-tetrahydro-2H-quinoline
Also Known As: 4-(Cyclopropylmethyl)-N,N-dimethyl-gamma-phenyl-1-piperazinepropanamine maleate (1:3), 1-Piperazinepropanamine, 4-(cyclopropylmethyl)-N,N-dimethyl-gamma-phenyl-, (Z)-2-butenedioate (1:3), 1-(3-Dimethylamino-1-phenylpropyl)-4-(cyclopropylmethyl)piperazine tris(hydrogen maleate), (E)-but-2-enedioic acid; 4-[4-(cyclopropylmethyl)-3-methylpiperazin-1-yl]-1-methyl-3,4,4a,8a-tetrahydro-2H-quinoline, 4-[4-(Cyclopropylmethyl)-3-methyl-1-piperazinyl]-1-methyl-1,2,3,4 ,4a,8a-hexahydroquinoline (2E)-2-butenedioate (1:3)
| Molecular Formula | C31H43N3O12 |
|---|---|
| Molecular Weight | 649.28 g/mol |
| LogP | 1.3528 |
| Topological Polar Surface Area | 233.52 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 649.28467 |
| Heavy Atoms | 46 |
| Complexity | 1092.1798 |
Chemical Identifiers
| CAS Number | 81402-51-9 |
|---|---|
| SMILES | CC1N(CCN(C1)C2C3C(N(CC2)C)C=CC=C3)CC4CC4.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056636 (CAS 81402-51-9), with molecular formula C31H43N3O12 and molecular weight 649.28 g/mol. IUPAC: tris((E)-but-2-enedioic acid);4-[4-(cyclopropylmethyl)-3-methylpiperazin-1-yl]-1-methyl-3,4,4a,8a-tetrahydro-2H-quinoline.
Chemical Property Profile of RefChem:1056636
Property Insights of RefChem:1056636
The XLogP value of 1.3528 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1056636. The TPSA of 233.52 Ų indicates high polarity, suggesting RefChem:1056636 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1056636 has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1056636?
The CAS number of RefChem:1056636 is 81402-51-9.
What is the molecular formula of RefChem:1056636?
The molecular formula of RefChem:1056636 is C31H43N3O12.
What is the molecular weight of RefChem:1056636?
The molecular weight of RefChem:1056636 is 649.28 g/mol.
Where can I buy RefChem:1056636?
You can request a quote for RefChem:1056636 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056636?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056636 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.