[email protected]
CAS 1205749-06-9 Methyl 3-MethylMorpholine-3-carboxylate HCl molecular structure lightbox
CAS RN: 1205749-06-9

Methyl 3-MethylMorpholine-3-carboxylate HCl

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260505 500mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1205749-06-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1205749-06-9 / methyl 3-methylmorpholine-3-carboxylate;hydrochloride

(S)-Methyl 3-methylmorpholine-3-carboxylate hydrochloride | methyl (3S)-3-methylmorpholine-3-carboxylate;hydrochloride | (S)-Methyl3-methylmorpholine-3-carboxylatehydrochloride

Standard CAS: 1205749-06-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1205749-06-9
Multi CAS
Yes
Molecular Formula
C7H14ClNO3
Molecular Weight
195.640000
Exact Mass
195.066221
SMILES
CC1(COCCN1)C(=O)OC.Cl
InChI
InChI=1S/C7H13NO3.ClH/c1-7(6(9)10-2)5-11-4-3-8-7;/h8H,3-5H2,1-2H3;1H
InChIKey
RTMAITBZHRHRPU-UHFFFAOYSA-N
Synonyms
(S)-Methyl 3-methylmorpholine-3-carboxylate hydrochloride methyl (3S)-3-methylmorpholine-3-carboxylate;hydrochloride (S)-Methyl3-methylmorpholine-3-carboxylatehydrochloride methyl (3S)-3-methylmorpholine-3-carboxylate hydrochloride SCHEMBL31674319

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
46.49
TPSA
47.56

LogP / Solubility

WLOGP
-0.04
MLOGP
-0.04
XLogP3
-0.04
Consensus LogP
-0.04
Log S (ESOL)
-0.96
Class (ESOL)
Very soluble
Log S (Ali)
-1.14
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.02
Class (SILICOS-IT)
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)
-3.94

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us