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CAS 200615-91-4 BOC-N-ME-GLU(OBZL)-OH molecular structure lightbox
CAS RN: 200615-91-4

BOC-N-ME-GLU(OBZL)-OH

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250315 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS200615-91-4
  • Purity/Analytical Methods: >99.0%
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200615-91-4 / (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-oxo-5-phenylmethoxypentanoic acid

Standard CAS: 200615-91-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
200615-91-4
Multi CAS
No
Molecular Formula
C18H25NO6
Molecular Weight
351.400000
Exact Mass
351.168188
SMILES
CC(C)(C)OC(=O)N(C)[C@@H](CCC(=O)OCC1=CC=CC=C1)C(=O)O
InChI
InChI=1S/C18H25NO6/c1-18(2,3)25-17(23)19(4)14(16(21)22)10-11-15(20)24-12-13-8-6-5-7-9-13/h5-9,14H,10-12H2,1-4H3,(H,21,22)/t14-/m0/s1
InChIKey
NEJPFSNBCOTZHN-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
5
H-bond donors
1
Molar refractivity
90.89
TPSA
93.14

LogP / Solubility

WLOGP
2.83
MLOGP
2.51
XLogP3
2.4
Consensus LogP
2.58
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.48
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.13
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)
-2.85

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

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