[email protected]
CAS 132245-78-4 (S)-1-Benzyl 5-Methyl 2-((tert-butoxycarbonyl)aMino)pentanedioate molecular structure lightbox
CAS RN: 132245-78-4

(S)-1-Benzyl 5-Methyl 2-((tert-butoxycarbonyl)aMino)pentanedioate

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250717 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS132245-78-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

132245-78-4 / 1-O-benzyl 5-O-methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate

Standard CAS: 132245-78-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
132245-78-4
Multi CAS
No
Molecular Formula
C18H25NO6
Molecular Weight
351.400000
Exact Mass
351.168188
SMILES
CC(C)(C)OC(=O)N[C@@H](CCC(=O)OC)C(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C18H25NO6/c1-18(2,3)25-17(22)19-14(10-11-15(20)23-4)16(21)24-12-13-8-6-5-7-9-13/h5-9,14H,10-12H2,1-4H3,(H,19,22)/t14-/m0/s1
InChIKey
FBKNYLGPAZLJGL-AWEZNQCLSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
1
Molar refractivity
90.65
TPSA
90.93

LogP / Solubility

WLOGP
2.58
MLOGP
2.29
XLogP3
2.6
Consensus LogP
2.49
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.92
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
Yes
Log Kp (skin permeation)
-3.03

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

Customers Also Viewed

Get In Touch

Contact Us