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CAS 3674-18-8 BOC-D-PHE-OSU molecular structure lightbox
CAS RN: 3674-18-8

BOC-D-PHE-OSU

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Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260202 5g / 25g / 100g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: starshine_CAS3674-18-8
  • Purity/Analytical Methods: >99.0%
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3674-18-8 / (2,5-dioxopyrrolidin-1-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate

Standard CAS: 3674-18-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3674-18-8
Multi CAS
Yes
Molecular Formula
C18H22N2O6
Molecular Weight
362.400000
Exact Mass
362.147786
InChI
InChI=1S/C18H22N2O6/c1-18(2,3)25-17(24)19-13(11-12-7-5-4-6-8-12)16(23)26-20-14(21)9-10-15(20)22/h4-8,13H,9-11H2,1-3H3,(H,19,24)/t13-/m1/s1
InChIKey
NHUCANAMPJGMQL-CYBMUJFWSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
1
Molar refractivity
90.48
TPSA
102.01

LogP / Solubility

WLOGP
1.73
MLOGP
1.54
XLogP3
2
Consensus LogP
1.76
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.78
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.05
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)
-3.7

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

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