[email protected]
CAS 917572-30-6 (R)-(4-BENZYL-MORPHOLIN-3-YL)-ACETIC ACID METHYL ESTER molecular structure lightbox
CAS RN: 917572-30-6

(R)-(4-BENZYL-MORPHOLIN-3-YL)-ACETIC ACID METHYL ESTER

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260321 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS917572-30-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

917572-30-6 / methyl 2-[(3R)-4-benzylmorpholin-3-yl]acetate

Standard CAS: 917572-30-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
917572-30-6
Multi CAS
Yes
Molecular Formula
C14H19NO3
Molecular Weight
249.300000
Exact Mass
249.136493
InChI
InChI=1S/C14H19NO3/c1-17-14(16)9-13-11-18-8-7-15(13)10-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3/t13-/m1/s1
InChIKey
NDALEGUOVNXIKT-CYBMUJFWSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
68.09
TPSA
38.77

LogP / Solubility

WLOGP
1.45
MLOGP
1.28
XLogP3
1.3
Consensus LogP
1.34
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.65
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.96
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.21

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Customers Also Viewed

Get In Touch

Contact Us