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CAS 211029-67-3 (3-IODO-PYRIDIN-4-YL)-CARBAMIC ACID TERT-BUTYL ESTER molecular structure lightbox
CAS RN: 211029-67-3

(3-IODO-PYRIDIN-4-YL)-CARBAMIC ACID TERT-BUTYL ESTER

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250825 1g In stock Inquiry
Batchno.20251019 250mg In stock Inquiry
Batchno.20260105 25g In stock Inquiry
Batchno.20251005 5g In stock Inquiry
  • Product code: SSC-100648
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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: 10g
  • 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 211029-67-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞97% 0 Out of Stock Beijing Inquiry

211029-67-3 / tert-butyl N-(3-iodo-4-pyridinyl)carbamate

Standard CAS: 211029-67-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
211029-67-3
Multi CAS
No
Molecular Formula
C10H13IN2O2
Molecular Weight
320.130000
Exact Mass
320.002180
SMILES
CC(C)(C)OC(=O)NC1=C(C=NC=C1)I
InChI
InChI=1S/C10H13IN2O2/c1-10(2,3)15-9(14)13-8-4-5-12-6-7(8)11/h4-6H,1-3H3,(H,12,13,14)
InChIKey
FFJIDTLUJQCVAI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
66.81
TPSA
51.22

LogP / Solubility

WLOGP
3.03
MLOGP
2.68
XLogP3
2.1
Consensus LogP
2.6
Log S (ESOL)
-3.97
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.38
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.38
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.52

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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