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CAS 681851-40-1 ((2R,3R)-2-Methylmorpholin-3-yl)methanol hydrochloride molecular structure lightbox
CAS RN: 681851-40-1

((2R,3R)-2-Methylmorpholin-3-yl)methanol hydrochloride

Product Availability

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250407 100mg / 250mg Out of stock 15 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251111 100mg In stock Shanghai Inquiry
Batchno.20250412 1g In stock Shanghai Inquiry
Batchno.20260215 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS681851-40-1
  • Purity/Analytical Methods: >99.0%
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681851-40-1 / [(2R,3R)-2-methylmorpholin-3-yl]methanol;hydrochloride

Standard CAS: 681851-40-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
681851-40-1
Multi CAS
Yes
Molecular Formula
C6H14CLNO2
Molecular Weight
167.630000
Exact Mass
167.071306
InChI
InChI=1S/C6H13NO2.ClH/c1-5-6(4-8)7-2-3-9-5;/h5-8H,2-4H2,1H3;1H/t5-,6-;/m1./s1
InChIKey
BYIGEAMZJNAXFT-KGZKBUQUSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
41.54
TPSA
41.49

LogP / Solubility

WLOGP
-0.22
MLOGP
-0.2
XLogP3
-0.22
Consensus LogP
-0.21
Log S (ESOL)
-0.67
Class (ESOL)
Very soluble
Log S (Ali)
-0.77
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.68
Class (SILICOS-IT)
Very 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)
-3.9

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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