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CAS 1251002-30-8 Tert-Butyl 3-(Hydroxymethyl)-2-Oxa-7-Azaspiro[4.5]Decane-7-Carboxylate molecular structure lightbox
CAS RN: 1251002-30-8

Tert-Butyl 3-(Hydroxymethyl)-2-Oxa-7-Azaspiro[4.5]Decane-7-Carboxylate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251009 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1251002-30-8
  • Purity/Analytical Methods: >99.0%
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1251002-30-8 / tert-butyl 3-(hydroxymethyl)-2-oxa-9-azaspiro[4.5]decane-9-carboxylate

Standard CAS: 1251002-30-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1251002-30-8
Multi CAS
No
Molecular Formula
C14H25NO4
Molecular Weight
271.350000
Exact Mass
271.178358
SMILES
CC(C)(C)OC(=O)N1CCCC2(C1)CC(OC2)CO
InChI
InChI=1S/C14H25NO4/c1-13(2,3)19-12(17)15-6-4-5-14(9-15)7-11(8-16)18-10-14/h11,16H,4-10H2,1-3H3
InChIKey
QFZWHSBESNSOMV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.93
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
70.92
TPSA
59

LogP / Solubility

WLOGP
1.78
MLOGP
1.58
XLogP3
1.1
Consensus LogP
1.49
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.03
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.11

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5

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