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CAS 2135655-76-2 CBZ-β-HoGlu(OtBu)-OH molecular structure lightbox
CAS RN: 2135655-76-2

CBZ-β-HoGlu(OtBu)-OH

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251217 1g / 5g / 10g / 25g Out of stock 8-10 business days Inquiry
  • Product code: SSC-101971
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2135655-76-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shenzhen Inquiry

2135655-76-2 / (3S)-6-[(2-methylpropan-2-yl)oxy]-6-oxo-3-(phenylmethoxycarbonylamino)hexanoic acid

Standard CAS: 2135655-76-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2135655-76-2
Multi CAS
No
Molecular Formula
C18H25NO6
Molecular Weight
351.400000
Exact Mass
351.168188
SMILES
CC(C)(C)OC(=O)CC[C@@H](CC(=O)O)NC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C18H25NO6/c1-18(2,3)25-16(22)10-9-14(11-15(20)21)19-17(23)24-12-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,19,23)(H,20,21)/t14-/m0/s1
InChIKey
WLEKMWHPQDAGJJ-AWEZNQCLSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
2
Molar refractivity
90.88
TPSA
101.93

LogP / Solubility

WLOGP
2.88
MLOGP
2.55
XLogP3
2.2
Consensus LogP
2.54
Log S (ESOL)
-3.48
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.52
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.29
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)
-2.82

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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