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CAS 18385-84-7 6-Methoxy-α-chromene molecular structure lightbox
CAS RN: 18385-84-7

6-Methoxy-α-chromene

  • Product code: SSC-085027
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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 18385-84-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

18385-84-7 / 6-methoxy-2H-chromene

Standard CAS: 18385-84-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
18385-84-7
Multi CAS
No
Molecular Formula
C10H10O2
Molecular Weight
162.180000
Exact Mass
162.068080
SMILES
COC1=CC2=C(C=C1)OCC=C2
InChI
InChI=1S/C10H10O2/c1-11-9-4-5-10-8(7-9)3-2-6-12-10/h2-5,7H,6H2,1H3
InChIKey
LMCDFCKWRNBXBB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
47.52
TPSA
18.46

LogP / Solubility

WLOGP
2.1
MLOGP
1.84
XLogP3
2.2
Consensus LogP
2.05
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.41
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.58
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)
-2.22

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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