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CAS 623950-05-0 4′-carbamoyl N-Boc-2′,6′-dimethyl-L-phenylalanine methyl ester molecular structure lightbox
CAS RN: 623950-05-0

4′-carbamoyl N-Boc-2′,6′-dimethyl-L-phenylalanine methyl ester

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260401 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS623950-05-0
  • Purity/Analytical Methods: >99.0%
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623950-05-0 / methyl 3-(4-carbamoyl-2,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Standard CAS: 623950-05-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
623950-05-0
Multi CAS
Yes
Molecular Formula
C18H26N2O5
Molecular Weight
350.400000
Exact Mass
350.184172
InChI
InChI=1S/C18H26N2O5/c1-10-7-12(15(19)21)8-11(2)13(10)9-14(16(22)24-6)20-17(23)25-18(3,4)5/h7-8,14H,9H2,1-6H3,(H2,19,21)(H,20,23)/t14-/m0/s1
InChIKey
AKXSOBOVDSGMSO-AWEZNQCLSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
93.31
TPSA
107.72

LogP / Solubility

WLOGP
2.01
MLOGP
1.79
XLogP3
2.4
Consensus LogP
2.07
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.89
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.21
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)
-3.43

Drug-likeness / Medicinal Chemistry

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

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