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CAS 101714-35-6 6-IODOCHROMAN-4-ONE molecular structure lightbox
CAS RN: 101714-35-6

6-IODOCHROMAN-4-ONE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251221 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-002652
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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 101714-35-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

101714-35-6 / 6-iodo-2,3-dihydrochromen-4-one

6-iodochroman-4-one | DTXSID40393842 | RefChem:308650

Standard CAS: 101714-35-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
101714-35-6
Multi CAS
Yes
Molecular Formula
C9H7IO2
Molecular Weight
274.050000
Exact Mass
273.949080
SMILES
C1COC2=C(C1=O)C=C(C=C2)I
InChI
InChI=1S/C9H7IO2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5H,3-4H2
InChIKey
SDUOLEARZNZVAN-UHFFFAOYSA-N
Synonyms
6-iodochroman-4-one DTXSID40393842 RefChem:308650 DTXCID30344702 6-iodo-2,3-dihydrochromen-4-one

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
H-bond acceptors
2
Molar refractivity
53.6
TPSA
26.3

LogP / Solubility

WLOGP
2.26
MLOGP
1.99
XLogP3
2
Consensus LogP
2.08
Log S (ESOL)
-3.33
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.44
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.31
Class (SILICOS-IT)
Poorly 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)
-2.79

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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