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CAS 29805-11-6 1-(4-CHLORO-PHENYL)-PROP-2-YN-1-OL molecular structure lightbox
CAS RN: 29805-11-6

1-(4-CHLORO-PHENYL)-PROP-2-YN-1-OL

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250102 100mg In stock Shanghai Inquiry
Batchno.20250418 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20260222 1g In stock Shanghai Inquiry
Batchno.20250822 250mg In stock Shanghai Inquiry
  • Product code: SSC-132987
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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 29805-11-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

29805-11-6 / 1-(4-chlorophenyl)prop-2-yn-1-ol

Standard CAS: 29805-11-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
29805-11-6
Multi CAS
No
Molecular Formula
C9H7CLO
Molecular Weight
166.600000
Exact Mass
166.018543
InChI
InChI=1S/C9H7ClO/c1-2-9(11)7-3-5-8(10)6-4-7/h1,3-6,9,11H
InChIKey
LPJLPGPHEDSJHU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
45.24
TPSA
20.23

LogP / Solubility

WLOGP
2.01
MLOGP
1.76
XLogP3
2
Consensus LogP
1.92
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.37
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.53
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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