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CAS 77611-37-1 (S)-2-((tert-Butoxycarbonyl)amino)-6-hydroxyhexanoic acid molecular structure lightbox
CAS RN: 77611-37-1

(S)-2-((tert-Butoxycarbonyl)amino)-6-hydroxyhexanoic acid

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250313 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-187171
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥95%
  • 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 77611-37-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

77611-37-1 / (2S)-6-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid

Standard CAS: 77611-37-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
77611-37-1
Multi CAS
Yes
Molecular Formula
C11H21NO5
Molecular Weight
247.290000
Exact Mass
247.141973
InChI
InChI=1S/C11H21NO5/c1-11(2,3)17-10(16)12-8(9(14)15)6-4-5-7-13/h8,13H,4-7H2,1-3H3,(H,12,16)(H,14,15)/t8-/m0/s1
InChIKey
BRFDKSWARKFUGQ-QMMMGPOBSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.82
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
3
Molar refractivity
61.73
TPSA
95.86

LogP / Solubility

WLOGP
1.13
MLOGP
1
XLogP3
0.9
Consensus LogP
1.01
Log S (ESOL)
-1.69
Class (ESOL)
Soluble
Log S (Ali)
-2.4
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.92
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.43

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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