RefChem:1056780
TL;DR: RefChem:1056780 (CAS 42882-63-3) is a chemical compound with molecular formula C22H31NO5 and molecular weight 389.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-piperidin-1-ylethanol;(E)-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)but-2-enedioic acid
Also Known As: alpha-(6,7,8,9-Tetrahydro-5H-benzocyclohepten-2-yl)-1-piperidineethanol maleate, 1-Piperidineethanol, alpha-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)-, (Z)-2-butenedioate (1:1) (salt), 2-piperidin-1-ylethanol; (E)-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)but-2-enedioic acid, RefChem:1056780
| Molecular Formula | C22H31NO5 |
|---|---|
| Molecular Weight | 389.22 g/mol |
| LogP | 2.9727 |
| Topological Polar Surface Area | 98.07 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 389.2202 |
| Heavy Atoms | 28 |
| Complexity | 689.41266 |
Chemical Identifiers
| CAS Number | 42882-63-3 |
|---|---|
| SMILES | C1CCC2=C(CC1)C=C(C=C2)/C(=C\C(=O)O)/C(=O)O.C1CCN(CC1)CCO |
Product Overview
RefChem:1056780 (CAS 42882-63-3), with molecular formula C22H31NO5 and molecular weight 389.22 g/mol. IUPAC: 2-piperidin-1-ylethanol;(E)-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)but-2-enedioic acid.
Chemical Property Profile of RefChem:1056780
Property Insights of RefChem:1056780
The XLogP value of 2.9727 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1056780. The TPSA of 98.07 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1056780. Following Lipinski's Rule of Five, RefChem:1056780 has 3 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:1056780?
The CAS number of RefChem:1056780 is 42882-63-3.
What is the molecular formula of RefChem:1056780?
The molecular formula of RefChem:1056780 is C22H31NO5.
What is the molecular weight of RefChem:1056780?
The molecular weight of RefChem:1056780 is 389.22 g/mol.
Where can I buy RefChem:1056780?
You can request a quote for RefChem:1056780 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056780?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056780 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.