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CAS 77302-72-8 (S)-2-((tert-Butoxycarbonyl)amino)hexanedioic acid molecular structure lightbox
CAS RN: 77302-72-8

(S)-2-((tert-Butoxycarbonyl)amino)hexanedioic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251021 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-186786
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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: ≥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 77302-72-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

77302-72-8 / (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanedioic acid

Standard CAS: 77302-72-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
77302-72-8
Multi CAS
Yes
Molecular Formula
C11H19NO6
Molecular Weight
261.270000
Exact Mass
261.121237
InChI
InChI=1S/C11H19NO6/c1-11(2,3)18-10(17)12-7(9(15)16)5-4-6-8(13)14/h7H,4-6H2,1-3H3,(H,12,17)(H,13,14)(H,15,16)/t7-/m0/s1
InChIKey
QDTDLMJRZPSKDM-ZETCQYMHSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.73
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
3
Molar refractivity
62.28
TPSA
112.93

LogP / Solubility

WLOGP
1.22
MLOGP
1.08
XLogP3
0.8
Consensus LogP
1.03
Log S (ESOL)
-1.83
Class (ESOL)
Soluble
Log S (Ali)
-2.58
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.09
Class (SILICOS-IT)
Poorly 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)
-3.45

Drug-likeness / Medicinal Chemistry

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

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