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CAS 1310327-20-8 5,8-Dioxa-2,11-diazaheptadecanedioic acid, 12-oxo-, 1-(1,1-dimethylethyl) ester molecular structure lightbox
CAS RN: 1310327-20-8

5,8-Dioxa-2,11-diazaheptadecanedioic acid, 12-oxo-, 1-(1,1-dimethylethyl) ester

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250308 1mg / 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1310327-20-8
  • Purity/Analytical Methods: >99.0%
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1310327-20-8 / 6-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylamino]-6-oxohexanoic acid

Standard CAS: 1310327-20-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1310327-20-8
Multi CAS
No
Molecular Formula
C17H32N2O7
Molecular Weight
376.400000
Exact Mass
376.220951
SMILES
CC(C)(C)OC(=O)NCCOCCOCCNC(=O)CCCCC(=O)O
InChI
InChI=1S/C17H32N2O7/c1-17(2,3)26-16(23)19-9-11-25-13-12-24-10-8-18-14(20)6-4-5-7-15(21)22/h4-13H2,1-3H3,(H,18,20)(H,19,23)(H,21,22)
InChIKey
DNAOLRLMHJNXKE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Fraction Csp3
0.82
Rotatable bonds
14
H-bond acceptors
6
H-bond donors
3
Molar refractivity
94.99
TPSA
123.19

LogP / Solubility

WLOGP
1.31
MLOGP
1.17
XLogP3
0.1
Consensus LogP
0.86
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.59
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.87
Class (SILICOS-IT)
Slightly 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)
-4.09

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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