RefChem:1056864
TL;DR: RefChem:1056864 (CAS 51490-51-8) is a chemical compound with molecular formula C27H35NO5 and molecular weight 453.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;N,N-dimethyl-3-[phenyl(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)methoxy]propan-1-amine
Also Known As: C23H31NO.C4H4O4.1/2H2O, C23-H31-N-O.C4-H4-O4.1/2H2-O, 1-Propanamine, N,N-dimethyl-3-(phenyl(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)methoxy)-, (Z)-2-butenedioate, hydrate (2:2:1), (E)-but-2-enedioic acid; N,N-dimethyl-3-[phenyl(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)methoxy]propan-1-amine, RefChem:1056864
| Molecular Formula | C27H35NO5 |
|---|---|
| Molecular Weight | 453.25 g/mol |
| LogP | 4.725 |
| Topological Polar Surface Area | 87.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 453.25153 |
| Heavy Atoms | 33 |
| Complexity | 891.98267 |
Chemical Identifiers
| CAS Number | 51490-51-8 |
|---|---|
| SMILES | CN(C)CCCOC(C1=CC=CC=C1)C2=CC3=C(CCCCC3)C=C2.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056864 (CAS 51490-51-8), with molecular formula C27H35NO5 and molecular weight 453.25 g/mol. IUPAC: (E)-but-2-enedioic acid;N,N-dimethyl-3-[phenyl(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)methoxy]propan-1-amine.
Chemical Property Profile of RefChem:1056864
Property Insights of RefChem:1056864
The XLogP value of 4.725 indicates that RefChem:1056864 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.07 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1056864. Following Lipinski's Rule of Five, RefChem:1056864 has 2 hydrogen bond donor(s) and 4 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:1056864?
The CAS number of RefChem:1056864 is 51490-51-8.
What is the molecular formula of RefChem:1056864?
The molecular formula of RefChem:1056864 is C27H35NO5.
What is the molecular weight of RefChem:1056864?
The molecular weight of RefChem:1056864 is 453.25 g/mol.
Where can I buy RefChem:1056864?
You can request a quote for RefChem:1056864 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056864?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056864 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.