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CAS 149647-78-9 N-Hydroxy-N’-phenyloctanediamide molecular structure lightbox
CAS RN: 149647-78-9

N-Hydroxy-N’-phenyloctanediamide

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260212 1g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250515 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250519 25g In stock Shenzhen Inquiry
Batchno.20250317 5g In stock Shanghai Inquiry
  • Product code: SSC-059606
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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: 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 149647-78-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

149647-78-9 / N'-hydroxy-N-phenyloctanediamide

Standard CAS: 149647-78-9 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
149647-78-9
Multi CAS
No
Molecular Formula
C14H20N2O3
Molecular Weight
264.320000
Exact Mass
264.147393
SMILES
C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO
InChI
InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
InChIKey
WAEXFXRVDQXREF-UHFFFAOYSA-N

Physical Properties

Melting Point
159-160.5 °C
Physical Description
Solid
Appearance
White to light orange powder White solid
State
Solid
Storage Conditions
Store at 20-25 °C (68-77 °F), excursions permitted between 15-30 °C (59-86 °F).

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
8
H-bond acceptors
3
H-bond donors
3
Molar refractivity
72.7
TPSA
78.43

LogP / Solubility

WLOGP
2.47
MLOGP
2.18
XLogP3
1.9
Consensus LogP
2.18
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.51
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.39
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)
-2.58

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
1.5

Safety & Transport

Pictogram(s)
Irritant Health Hazard Environmental Hazard
Signal
Danger
GHS Hazard Statements
H302 (58.3%): Harmful if swallowed [Warning Acute toxicity, oral] H341 (99.1%): Suspected of causing genetic defects [Warning Germ cell mutagenicity] H360 (73.1%): May damage fertility or the unborn child [Danger Reproductive toxicity] H360FD (25.9%): May damage fertility; May damage the unborn child [Danger Reproductive toxicity] H372 (59.3%): Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]
Precautionary Statement Codes
P203, P260, P264, P270, P273, P280, P301+P317, P318, P319, P330, P391, P405, and P501

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