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CAS 300831-21-4 8-Nonenoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, (2S)- molecular structure lightbox
CAS RN: 300831-21-4

8-Nonenoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, (2S)-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250925 1g / 5g / 10g Out of stock 5-7 business days Inquiry
  • Product code: SSC-133719
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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: 0.25g, 1g, 5g, 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 300831-21-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Shenzhen Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry
25g ＞97% 0 Out of Stock Shenzhen Inquiry

300831-21-4 / (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoic acid

Standard CAS: 300831-21-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
300831-21-4
Multi CAS
Yes
Molecular Formula
C14H25NO4
Molecular Weight
271.350000
Exact Mass
271.178358
InChI
InChI=1S/C14H25NO4/c1-5-6-7-8-9-10-11(12(16)17)15-13(18)19-14(2,3)4/h5,11H,1,6-10H2,2-4H3,(H,15,18)(H,16,17)/t11-/m0/s1
InChIKey
ZVCMWNFQYIQWSY-NSHDSACASA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.71
Rotatable bonds
8
H-bond acceptors
3
H-bond donors
2
Molar refractivity
74.08
TPSA
75.63

LogP / Solubility

WLOGP
3.1
MLOGP
2.74
XLogP3
3.5
Consensus LogP
3.11
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.96
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.17

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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