RefChem:1098963
TL;DR: RefChem:1098963 (CAS 34753-53-2) is a chemical compound with molecular formula C27H29NO6 and molecular weight 463.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-but-2-enedioic acid;1-(spiro[1,3-dioxolane-2,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-4-ylmethyl)piperidine
Also Known As: 4'-Piperidinomethylspiro(5H-dibenzo(a,d)cycloheptene-5,2'-(1',3')dioxolane) maleate, Spiro(5H-dibenzo(a,d)cycloheptene-5,2'-(1',3')dioxolane), 4'-piperidinomethyl-, maleate, Piperidine, 1-(spiro[5H-dibenzo[a,d]cycloheptene-5,2'-[1,3]dioxolan]-4'-ylmethyl)-, (Z)-2-butenedioate (1:1), RefChem:1098963
| Molecular Formula | C27H29NO6 |
|---|---|
| Molecular Weight | 463.20 g/mol |
| LogP | 3.9846 |
| Topological Polar Surface Area | 96.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 463.1995 |
| Heavy Atoms | 34 |
| Complexity | 1020.53284 |
Chemical Identifiers
| CAS Number | 34753-53-2 |
|---|---|
| SMILES | C1CCN(CC1)CC2COC3(O2)C4=CC=CC=C4C=CC5=CC=CC=C35.C(=C\C(=O)O)\C(=O)O |
Product Overview
RefChem:1098963 (CAS 34753-53-2), with molecular formula C27H29NO6 and molecular weight 463.20 g/mol. IUPAC: (Z)-but-2-enedioic acid;1-(spiro[1,3-dioxolane-2,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-4-ylmethyl)piperidine.
Chemical Property Profile of RefChem:1098963
Property Insights of RefChem:1098963
The XLogP value of 3.9846 indicates that RefChem:1098963 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.3 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1098963. Following Lipinski's Rule of Five, RefChem:1098963 has 2 hydrogen bond donor(s) and 5 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 RefChem:1098963?
The CAS number of RefChem:1098963 is 34753-53-2.
What is the molecular formula of RefChem:1098963?
The molecular formula of RefChem:1098963 is C27H29NO6.
What is the molecular weight of RefChem:1098963?
The molecular weight of RefChem:1098963 is 463.20 g/mol.
Where can I buy RefChem:1098963?
You can request a quote for RefChem:1098963 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1098963?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1098963 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.