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CAS 1421933-27-8 CZXLQKCQFLPXDB-UHFFFAOYSA-N molecular structure lightbox
CAS RN: 1421933-27-8

CZXLQKCQFLPXDB-UHFFFAOYSA-N

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250416 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-052960
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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: ＞97%
  • 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 1421933-27-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1421933-27-8 / tert-butyl 6-chloro-2-iodopyrrolo[3,2-c]pyridine-1-carboxylate

Standard CAS: 1421933-27-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1421933-27-8
Multi CAS
No
Molecular Formula
C12H12ClIN2O2
Molecular Weight
378.590000
Exact Mass
377.963200
SMILES
CC(C)(C)OC(=O)N1C2=CC(=NC=C2C=C1I)Cl
InChI
InChI=1S/C12H12ClIN2O2/c1-12(2,3)18-11(17)16-8-5-9(13)15-6-7(8)4-10(16)14/h4-6H,1-3H3
InChIKey
CZXLQKCQFLPXDB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
9
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
79.09
TPSA
44.12

LogP / Solubility

WLOGP
4.08
MLOGP
3.61
XLogP3
3.8
Consensus LogP
3.83
Log S (ESOL)
-5.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.61
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.51
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.13

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

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