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CAS 250694-07-6 3-(tetradecylcarbamoylamino)-4-trimethylammonio-butanoate molecular structure lightbox
CAS RN: 250694-07-6

3-(tetradecylcarbamoylamino)-4-trimethylammonio-butanoate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250311 1mg / 5mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-120587
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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
  • 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 250694-07-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry

250694-07-6 / 3-(tetradecylcarbamoylamino)-4-(trimethylazaniumyl)butanoate

Standard CAS: 250694-07-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
250694-07-6
Multi CAS
No
Molecular Formula
C22H45N3O3
Molecular Weight
399.600000
Exact Mass
399.346092
SMILES
CCCCCCCCCCCCCCNC(=O)NC(CC(=O)[O-])C[N+](C)(C)C
InChI
InChI=1S/C22H45N3O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-23-22(28)24-20(18-21(26)27)19-25(2,3)4/h20H,5-19H2,1-4H3,(H2-,23,24,26,27,28)/t20-/m1/s1
InChIKey
BMZYTDRMCBZVNH-HXUWFJFHSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Fraction Csp3
0.91
Rotatable bonds
18
H-bond acceptors
3
H-bond donors
2
Molar refractivity
113.92
TPSA
81.26

LogP / Solubility

WLOGP
3.2
MLOGP
2.84
XLogP3
6.3
Consensus LogP
4.11
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.07
Class (SILICOS-IT)
Insoluble

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)
-2.88

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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