RefChem:89214
TL;DR: RefChem:89214 (CAS 68412-44-2) is a chemical compound with molecular formula C16H29N3O4 and molecular weight 327.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(3-aminopropyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propan-1-amine;prop-2-enenitrile
Also Known As: EINECS 270-189-4, 2-Propenenitrile, reaction products with 2,4,8,10-tetraoxaspiro(5.5)undecane-3,9-dipropanamine, 3,9-Bis(3-aminopropyl)-2,4,8,10-tetraoxaspiro(5,5)undecane, acrylonitrile addition product, 2-Propenenitrile, reaction products with 2,4,8,10-tetraoxaspiro[5.5]undecane-3,9-dipropanamine, 270-189-4
| Molecular Formula | C16H29N3O4 |
|---|---|
| Molecular Weight | 327.22 g/mol |
| LogP | 0.89238 |
| Topological Polar Surface Area | 112.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 327.21582 |
| Heavy Atoms | 23 |
| Complexity | 327.3173 |
Chemical Identifiers
| CAS Number | 68412-44-2 |
|---|---|
| SMILES | C=CC#N.C1C2(COC(O1)CCCN)COC(OC2)CCCN |
Product Overview
RefChem:89214 (CAS 68412-44-2), with molecular formula C16H29N3O4 and molecular weight 327.22 g/mol. IUPAC: 3-[3-(3-aminopropyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propan-1-amine;prop-2-enenitrile.
Chemical Property Profile of RefChem:89214
Property Insights of RefChem:89214
The XLogP value of 0.89238 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:89214. The TPSA of 112.75 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:89214. Following Lipinski's Rule of Five, RefChem:89214 has 2 hydrogen bond donor(s) and 7 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:89214?
The CAS number of RefChem:89214 is 68412-44-2.
What is the molecular formula of RefChem:89214?
The molecular formula of RefChem:89214 is C16H29N3O4.
What is the molecular weight of RefChem:89214?
The molecular weight of RefChem:89214 is 327.22 g/mol.
Where can I buy RefChem:89214?
You can request a quote for RefChem:89214 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:89214?
Yes, KEHONG BIO provides custom synthesis services for RefChem:89214 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.