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CAS 10436-25-6 11-[(tert-Butoxycarbonyl)amino]undecanoic Acid molecular structure lightbox
CAS RN: 10436-25-6

11-[(tert-Butoxycarbonyl)amino]undecanoic Acid

  • Product code: SSC-006132
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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: 25g
  • 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 10436-25-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Hong Kong Inquiry

10436-25-6 / 11-[(2-methylpropan-2-yl)oxycarbonylamino]undecanoic acid

11-((tert-Butoxycarbonyl)amino)undecanoic acid | 11-[(tert-butoxycarbonyl)amino]undecanoic acid | DTXSID60401054

Standard CAS: 10436-25-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10436-25-6
Multi CAS
Yes
Molecular Formula
C16H31NO4
Molecular Weight
301.420000
Exact Mass
301.225308
SMILES
CC(C)(C)OC(=O)NCCCCCCCCCCC(=O)O
InChI
InChI=1S/C16H31NO4/c1-16(2,3)21-15(20)17-13-11-9-7-5-4-6-8-10-12-14(18)19/h4-13H2,1-3H3,(H,17,20)(H,18,19)
InChIKey
HPTPZJBSQUULAV-UHFFFAOYSA-N
Synonyms
11-((tert-Butoxycarbonyl)amino)undecanoic acid 11-[(tert-butoxycarbonyl)amino]undecanoic acid DTXSID60401054 RefChem:236130 DTXCID60351909

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
0.88
Rotatable bonds
11
H-bond acceptors
3
H-bond donors
2
Molar refractivity
83.43
TPSA
75.63

LogP / Solubility

WLOGP
4.11
MLOGP
3.63
XLogP3
4.2
Consensus LogP
3.98
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.35
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.64

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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