RefChem:1057091
TL;DR: RefChem:1057091 (CAS 67367-90-2) is a chemical compound with molecular formula C22H29NO5 and molecular weight 387.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-but-2-enedioic acid;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylmethoxymethyl)pyrrolidine
Also Known As: alpha-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)-1-pyrrolidineethanol maleate, 1-Pyrrolidineethanol, alpha-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-, (Z)-2-butenedioate (1:1), (Z)-but-2-enedioic acid; 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylmethoxymethyl)pyrrolidine, RefChem:1057091
| Molecular Formula | C22H29NO5 |
|---|---|
| Molecular Weight | 387.20 g/mol |
| LogP | 2.9457 |
| Topological Polar Surface Area | 87.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 387.20456 |
| Heavy Atoms | 28 |
| Complexity | 701.5343 |
Chemical Identifiers
| CAS Number | 67367-90-2 |
|---|---|
| SMILES | C1CCN(C1)COCC2=C3CCCC3=CC4=C2CCC4.C(=C\C(=O)O)\C(=O)O |
Product Overview
RefChem:1057091 (CAS 67367-90-2), with molecular formula C22H29NO5 and molecular weight 387.20 g/mol. IUPAC: (Z)-but-2-enedioic acid;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylmethoxymethyl)pyrrolidine.
Chemical Property Profile of RefChem:1057091
Property Insights of RefChem:1057091
The XLogP value of 2.9457 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1057091. The TPSA of 87.07 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1057091. Following Lipinski's Rule of Five, RefChem:1057091 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:1057091?
The CAS number of RefChem:1057091 is 67367-90-2.
What is the molecular formula of RefChem:1057091?
The molecular formula of RefChem:1057091 is C22H29NO5.
What is the molecular weight of RefChem:1057091?
The molecular weight of RefChem:1057091 is 387.20 g/mol.
Where can I buy RefChem:1057091?
You can request a quote for RefChem:1057091 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1057091?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1057091 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.