[email protected]
CAS 946682-30-0 4-[(tert-Butoxycarbonyl)amino]-4-(carboxymethyl)tetrahydro-2H-pyran, 4-Amino-4-(carboxymethyl)tetrahydro-2H-pyran, N-BOC protected molecular structure lightbox
CAS RN: 946682-30-0

4-[(tert-Butoxycarbonyl)amino]-4-(carboxymethyl)tetrahydro-2H-pyran, 4-Amino-4-(carboxymethyl)tetrahydro-2H-pyran, N-BOC protected

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250612 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS946682-30-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

946682-30-0 / 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-4-yl]acetic acid

Standard CAS: 946682-30-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
946682-30-0
Multi CAS
Yes
Molecular Formula
C12H21NO5
Molecular Weight
259.300000
Exact Mass
259.141973
InChI
InChI=1S/C12H21NO5/c1-11(2,3)18-10(16)13-12(8-9(14)15)4-6-17-7-5-12/h4-8H2,1-3H3,(H,13,16)(H,14,15)
InChIKey
NFOXLDGTCZNVBA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.83
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
64.41
TPSA
84.86

LogP / Solubility

WLOGP
1.53
MLOGP
1.36
XLogP3
1.2
Consensus LogP
1.36
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.79
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.98
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
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
Yes
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us