NSC 76139
TL;DR: NSC 76139 (CAS 60204-85-5) is a chemical compound with molecular formula C17H28N2O5 and molecular weight 340.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,7-dimethyl-2,6-dioxa-10-azatricyclo[5.2.1.04,10]decan-4-yl)methyl 2,6-dimethylmorpholine-4-carboxylate
Also Known As: (dimethyl[?]yl)methyl 2,6-dimethylmorpholine-4-carboxylate, (4a,6a-Dimethyltetrahydro-2H-1,4-dioxa-6b-azacyclopenta(cd)pentalen-2a(3H)-yl)methyl 2,6-dimethyl-4-morpholinecarboxylate, (4a,6a-Dimethyltetrahydro-2H-1,4-dioxa-6b-azacyclopenta[cd]pentalen-2a(3H)-yl)methyl 2,6-dimethyl-4-morpholinecarboxylate
| Molecular Formula | C17H28N2O5 |
|---|---|
| Molecular Weight | 340.20 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 60.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 340.19983 |
| Heavy Atoms | 24 |
| Complexity | 511.0 |
Chemical Identifiers
| CAS Number | 60204-85-5 |
|---|---|
| SMILES | CC1CN(CC(O1)C)C(=O)OCC23COC4(N2C(CC4)(OC3)C)C |
| InChIKey | MDPLWPPNTOIDNE-UHFFFAOYSA-N |
Product Overview
NSC 76139 (CAS 60204-85-5), with molecular formula C17H28N2O5 and molecular weight 340.20 g/mol. IUPAC: (1,7-dimethyl-2,6-dioxa-10-azatricyclo[5.2.1.04,10]decan-4-yl)methyl 2,6-dimethylmorpholine-4-carboxylate.
Chemical Property Profile of NSC 76139
Property Insights of NSC 76139
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NSC 76139. The TPSA of 60.5 Ų falls within the moderate polarity range, balancing permeability and solubility for NSC 76139. Following Lipinski's Rule of Five, NSC 76139 has 0 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 NSC 76139?
The CAS number of NSC 76139 is 60204-85-5.
What is the molecular formula of NSC 76139?
The molecular formula of NSC 76139 is C17H28N2O5.
What is the molecular weight of NSC 76139?
The molecular weight of NSC 76139 is 340.20 g/mol.
Where can I buy NSC 76139?
You can request a quote for NSC 76139 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NSC 76139?
Yes, KEHONG BIO provides custom synthesis services for NSC 76139 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.