RefChem:1098257
TL;DR: RefChem:1098257 (CAS 67367-94-6) is a chemical compound with molecular formula C19H25NO5 and molecular weight 347.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylmethoxy)-N-methylmethanamine
Also Known As: 1-(s-Hydrindacen-4-yl)-2-methylaminoethanol hydrogen maleate, 1,2,3,5,6,7-Hexahydro-alpha-((methylamino)methyl)-s-indacene-4-methanol maleate, s-Indacene-4-methanol, 1,2,3,5,6,7-hexahydro-alpha-((methylamino)methyl)-, (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylmethoxy)-N-methylmethanamine, RefChem:1098257
| Molecular Formula | C19H25NO5 |
|---|---|
| Molecular Weight | 347.17 g/mol |
| LogP | 2.0693 |
| Topological Polar Surface Area | 95.86 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 347.17328 |
| Heavy Atoms | 25 |
| Complexity | 618.01855 |
Chemical Identifiers
| CAS Number | 67367-94-6 |
|---|---|
| SMILES | CNCOCC1=C2CCCC2=CC3=C1CCC3.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1098257 (CAS 67367-94-6), with molecular formula C19H25NO5 and molecular weight 347.17 g/mol. IUPAC: (E)-but-2-enedioic acid;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylmethoxy)-N-methylmethanamine.
Chemical Property Profile of RefChem:1098257
Property Insights of RefChem:1098257
The XLogP value of 2.0693 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1098257. The TPSA of 95.86 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1098257. Following Lipinski's Rule of Five, RefChem:1098257 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:1098257?
The CAS number of RefChem:1098257 is 67367-94-6.
What is the molecular formula of RefChem:1098257?
The molecular formula of RefChem:1098257 is C19H25NO5.
What is the molecular weight of RefChem:1098257?
The molecular weight of RefChem:1098257 is 347.17 g/mol.
Where can I buy RefChem:1098257?
You can request a quote for RefChem:1098257 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1098257?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1098257 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.