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CAS 18385-81-4 7-chlorochroman-4-ol molecular structure lightbox
CAS RN: 18385-81-4

7-chlorochroman-4-ol

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260130 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-085024
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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: 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 18385-81-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

18385-81-4 / 7-chloro-3,4-dihydro-2H-chromen-4-ol

Standard CAS: 18385-81-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
18385-81-4
Multi CAS
No
Molecular Formula
C9H9ClO2
Molecular Weight
184.620000
Exact Mass
184.029107
SMILES
C1COC2=C(C1O)C=CC(=C2)Cl
InChI
InChI=1S/C9H9ClO2/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-2,5,8,11H,3-4H2
InChIKey
CTDYKWYKIBZVPN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.52
TPSA
29.46

LogP / Solubility

WLOGP
2.16
MLOGP
1.9
XLogP3
1.8
Consensus LogP
1.95
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.63
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
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)
-2.32

Drug-likeness / Medicinal Chemistry

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

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