RefChem:1098255
TL;DR: RefChem:1098255 (CAS 67367-96-8) is a chemical compound with molecular formula C21H29NO5 and molecular weight 375.20 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-yl)-2-(propan-2-ylamino)ethanol
Also Known As: 1,2,3,5,6,7-Hexahydro-alpha-(((1-methylethyl)amino)methyl)-s-indacene-4-methanol maleate, s-Indacene-4-methanol, 1,2,3,5,6,7-hexahydro-alpha-(((1-methylethyl)amino)methyl)-, (Z)-2-butenedioate(1:1), (Z)-but-2-enedioic acid; 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(propan-2-ylamino)ethanol, RefChem:1098255
| Molecular Formula | C21H29NO5 |
|---|---|
| Molecular Weight | 375.20 g/mol |
| LogP | 2.4072 |
| Topological Polar Surface Area | 106.86 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 375.20456 |
| Heavy Atoms | 27 |
| Complexity | 675.5224 |
Chemical Identifiers
| CAS Number | 67367-96-8 |
|---|---|
| SMILES | CC(C)NCC(C1=C2CCCC2=CC3=C1CCC3)O.C(=C\C(=O)O)\C(=O)O |
Product Overview
RefChem:1098255 (CAS 67367-96-8), with molecular formula C21H29NO5 and molecular weight 375.20 g/mol. IUPAC: (Z)-but-2-enedioic acid;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(propan-2-ylamino)ethanol.
Chemical Property Profile of RefChem:1098255
Property Insights of RefChem:1098255
The XLogP value of 2.4072 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1098255. The TPSA of 106.86 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1098255. Following Lipinski's Rule of Five, RefChem:1098255 has 4 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:1098255?
The CAS number of RefChem:1098255 is 67367-96-8.
What is the molecular formula of RefChem:1098255?
The molecular formula of RefChem:1098255 is C21H29NO5.
What is the molecular weight of RefChem:1098255?
The molecular weight of RefChem:1098255 is 375.20 g/mol.
Where can I buy RefChem:1098255?
You can request a quote for RefChem:1098255 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1098255?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1098255 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.