RefChem:1098951
TL;DR: RefChem:1098951 (CAS 40536-30-9) is a chemical compound with molecular formula C33H38N2O12 and molecular weight 654.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((E)-but-2-enedioic acid);3-[4-(spiro[1,3-dioxolane-2,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-4-ylmethyl)piperazin-1-yl]propane-1,2-diol
Also Known As: Spiro(5H-dibenzo(a,d)cycloheptene-5,2'-(1',3')dioxolane), 4'-(4-(2,3-dihydroxypropyl)piperazinyl)methyl-, dimaleate, 1,2-Propanediol, 3-[4-(spiro[5H-dibenzo[a,d]cycloheptene-5,2'-[1,3]dioxolan]-4'-ylmethyl)-1-piperazinyl]-, (Z)-2-butenedioate (1:2) (salt), RefChem:1098951
| Molecular Formula | C33H38N2O12 |
|---|---|
| Molecular Weight | 654.24 g/mol |
| LogP | 1.1813 |
| Topological Polar Surface Area | 214.6 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 654.2425 |
| Heavy Atoms | 47 |
| Complexity | 1363.9678 |
Chemical Identifiers
| CAS Number | 40536-30-9 |
|---|---|
| SMILES | C1N(CCN(C1)CC(O)CO)CC2OC3(OC2)C4=CC=CC=C4C=CC5=CC=CC=C35.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1098951 (CAS 40536-30-9), with molecular formula C33H38N2O12 and molecular weight 654.24 g/mol. IUPAC: bis((E)-but-2-enedioic acid);3-[4-(spiro[1,3-dioxolane-2,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-4-ylmethyl)piperazin-1-yl]propane-1,2-diol.
Chemical Property Profile of RefChem:1098951
Property Insights of RefChem:1098951
The XLogP value of 1.1813 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1098951. The TPSA of 214.6 Ų indicates high polarity, suggesting RefChem:1098951 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1098951 has 6 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 RefChem:1098951?
The CAS number of RefChem:1098951 is 40536-30-9.
What is the molecular formula of RefChem:1098951?
The molecular formula of RefChem:1098951 is C33H38N2O12.
What is the molecular weight of RefChem:1098951?
The molecular weight of RefChem:1098951 is 654.24 g/mol.
Where can I buy RefChem:1098951?
You can request a quote for RefChem:1098951 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1098951?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1098951 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.