1,3-Benzodioxol-5-yl morpholine-4-carboxylate
TL;DR: 1,3-Benzodioxol-5-yl morpholine-4-carboxylate (CAS 890601-17-9) is a chemical compound with molecular formula C12H13NO5 and molecular weight 251.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzodioxol-5-yl morpholine-4-carboxylate
Also Known As: 1,3-benzodioxol-5-yl morpholine-4-carboxylate, VU0606142-1
| Molecular Formula | C12H13NO5 |
|---|---|
| Molecular Weight | 251.08 g/mol |
| LogP | 1.2463 |
| Topological Polar Surface Area | 57.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 251.07938 |
| Heavy Atoms | 18 |
| Complexity | 455.78104 |
Chemical Identifiers
| CAS Number | 890601-17-9 |
|---|---|
| SMILES | C1COCCN1C(=O)OC2=CC3=C(C=C2)OCO3 |
Product Overview
1,3-Benzodioxol-5-yl morpholine-4-carboxylate (CAS 890601-17-9), with molecular formula C12H13NO5 and molecular weight 251.08 g/mol. IUPAC: 1,3-benzodioxol-5-yl morpholine-4-carboxylate.
Chemical Property Profile of 1,3-Benzodioxol-5-yl morpholine-4-carboxylate
Property Insights of 1,3-Benzodioxol-5-yl morpholine-4-carboxylate
The XLogP value of 1.2463 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzodioxol-5-yl morpholine-4-carboxylate. With a topological polar surface area (TPSA) of 57.23 Ų, 1,3-Benzodioxol-5-yl morpholine-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzodioxol-5-yl morpholine-4-carboxylate has 0 hydrogen bond donor(s) and 5 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 1,3-Benzodioxol-5-yl morpholine-4-carboxylate?
The CAS number of 1,3-Benzodioxol-5-yl morpholine-4-carboxylate is 890601-17-9.
What is the molecular formula of 1,3-Benzodioxol-5-yl morpholine-4-carboxylate?
The molecular formula of 1,3-Benzodioxol-5-yl morpholine-4-carboxylate is C12H13NO5.
What is the molecular weight of 1,3-Benzodioxol-5-yl morpholine-4-carboxylate?
The molecular weight of 1,3-Benzodioxol-5-yl morpholine-4-carboxylate is 251.08 g/mol.
Where can I buy 1,3-Benzodioxol-5-yl morpholine-4-carboxylate?
You can request a quote for 1,3-Benzodioxol-5-yl morpholine-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzodioxol-5-yl morpholine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxol-5-yl morpholine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.