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CAS 1123838-02-7 tert-butyl ((6-(7-chlorothieno[3,2-b]pyridin-2-yl)pyridin-3-yl)methyl)(2-methoxyethyl)carbamate molecular structure lightbox
CAS RN: 1123838-02-7

tert-butyl ((6-(7-chlorothieno[3,2-b]pyridin-2-yl)pyridin-3-yl)methyl)(2-methoxyethyl)carbamate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250225 100mg In stock Shanghai Inquiry
  • Product code: SSC-012825
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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 1123838-02-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1123838-02-7 / tert-butyl N-[[6-(7-chlorothieno[3,2-b]pyridin-2-yl)-3-pyridinyl]methyl]-N-(2-methoxyethyl)carbamate

tert-Butyl ((6-(7-chlorothieno[3,2-b]pyridin-2-yl)pyridin-3-yl)methyl)(2-methoxyethyl)carbamate | SCHEMBL171880 | SCHEMBL29802582

Standard CAS: 1123838-02-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1123838-02-7
Multi CAS
No
Molecular Formula
C21H24ClN3O3S
Molecular Weight
434.000000
Exact Mass
433.122691
SMILES
CC(C)(C)OC(=O)N(CCOC)CC1=CN=C(C=C1)C2=CC3=NC=CC(=C3S2)Cl
InChI
InChI=1S/C21H24ClN3O3S/c1-21(2,3)28-20(26)25(9-10-27-4)13-14-5-6-16(24-12-14)18-11-17-19(29-18)15(22)7-8-23-17/h5-8,11-12H,9-10,13H2,1-4H3
InChIKey
RYRXEENRCNVKPA-UHFFFAOYSA-N
Synonyms
tert-Butyl ((6-(7-chlorothieno[3,2-b]pyridin-2-yl)pyridin-3-yl)methyl)(2-methoxyethyl)carbamate SCHEMBL171880 SCHEMBL29802582 RYRXEENRCNVKPA-UHFFFAOYSA-N MFCD32702047

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
15
Fraction Csp3
0.38
Rotatable bonds
6
H-bond acceptors
6
Molar refractivity
116.38
TPSA
64.55

LogP / Solubility

WLOGP
5.4
MLOGP
4.78
XLogP3
3.8
Consensus LogP
4.66
Log S (ESOL)
-5.92
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.01
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.68
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.54

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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