7-Oxa-3-thia-1-azaspiro(5.5)undec-1-en-2-amine, (+-)-, (Z)-2-butenedioate (1:1)
TL;DR: 7-Oxa-3-thia-1-azaspiro(5.5)undec-1-en-2-amine, (+-)-, (Z)-2-butenedioate (1:1) (CAS 51270-20-3) is a chemical compound with molecular formula C12H18N2O5S and molecular weight 302.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;7-oxa-3-thia-1-azaspiro[5.5]undec-1-en-2-amine
Also Known As: (+-)-2-Amino-7-oxa-3-thia-1-azaspiro(5.5)undec-1-ene maleate, 7-Oxa-3-thia-1-azaspiro(5.5)undec-1-en-2-amine, (+-)-, (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 5-oxa-9-thia-11-azaspiro[5.5]undec-10-en-10-amine, RefChem:1074518
| Molecular Formula | C12H18N2O5S |
|---|---|
| Molecular Weight | 302.09 g/mol |
| LogP | 1.0466 |
| Topological Polar Surface Area | 122.21 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 302.09363 |
| Heavy Atoms | 20 |
| Complexity | 400.07074 |
Chemical Identifiers
| CAS Number | 51270-20-3 |
|---|---|
| SMILES | C1CCOC2(C1)CCSC(=N2)N.C(=C/C(=O)O)\C(=O)O |
Product Overview
7-Oxa-3-thia-1-azaspiro(5.5)undec-1-en-2-amine, (+-)-, (Z)-2-butenedioate (1:1) (CAS 51270-20-3), with molecular formula C12H18N2O5S and molecular weight 302.09 g/mol. IUPAC: (E)-but-2-enedioic acid;7-oxa-3-thia-1-azaspiro[5.5]undec-1-en-2-amine.
Chemical Property Profile of 7-Oxa-3-thia-1-azaspiro(5.5)undec-1-en-2-amine, (+-)-, (Z)-2-butenedioate (1:1)
Property Insights of 7-Oxa-3-thia-1-azaspiro(5.5)undec-1-en-2-amine, (+-)-, (Z)-2-butenedioate (1:1)
The XLogP value of 1.0466 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Oxa-3-thia-1-azaspiro(5.5)undec-1-en-2-amine, (+-)-, (Z)-2-butenedioate (1:1). The TPSA of 122.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Oxa-3-thia-1-azaspiro(5.5)undec-1-en-2-amine, (+-)-, (Z)-2-butenedioate (1:1). Following Lipinski's Rule of Five, 7-Oxa-3-thia-1-azaspiro(5.5)undec-1-en-2-amine, (+-)-, (Z)-2-butenedioate (1:1) has 3 hydrogen bond donor(s) and 6 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 7-Oxa-3-thia-1-azaspiro(5.5)undec-1-en-2-amine, (+-)-, (Z)-2-butenedioate (1:1)?
The CAS number of 7-Oxa-3-thia-1-azaspiro(5.5)undec-1-en-2-amine, (+-)-, (Z)-2-butenedioate (1:1) is 51270-20-3.
What is the molecular formula of 7-Oxa-3-thia-1-azaspiro(5.5)undec-1-en-2-amine, (+-)-, (Z)-2-butenedioate (1:1)?
The molecular formula of 7-Oxa-3-thia-1-azaspiro(5.5)undec-1-en-2-amine, (+-)-, (Z)-2-butenedioate (1:1) is C12H18N2O5S.
What is the molecular weight of 7-Oxa-3-thia-1-azaspiro(5.5)undec-1-en-2-amine, (+-)-, (Z)-2-butenedioate (1:1)?
The molecular weight of 7-Oxa-3-thia-1-azaspiro(5.5)undec-1-en-2-amine, (+-)-, (Z)-2-butenedioate (1:1) is 302.09 g/mol.
Where can I buy 7-Oxa-3-thia-1-azaspiro(5.5)undec-1-en-2-amine, (+-)-, (Z)-2-butenedioate (1:1)?
You can request a quote for 7-Oxa-3-thia-1-azaspiro(5.5)undec-1-en-2-amine, (+-)-, (Z)-2-butenedioate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Oxa-3-thia-1-azaspiro(5.5)undec-1-en-2-amine, (+-)-, (Z)-2-butenedioate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 7-Oxa-3-thia-1-azaspiro(5.5)undec-1-en-2-amine, (+-)-, (Z)-2-butenedioate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.