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CAS 1404364-72-2 7-((2-(triMethylsilyl)ethoxy)Methyl)-2,4-dichloro-5-iodo-7H-pyrrolo[2,3-d]pyriMidine molecular structure lightbox
CAS RN: 1404364-72-2

7-((2-(triMethylsilyl)ethoxy)Methyl)-2,4-dichloro-5-iodo-7H-pyrrolo[2,3-d]pyriMidine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260301 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-051053
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 10g, 5g, 25g, 100g
  • Available purity: ≥95%
  • Inventory rows with stock: 7
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1404364-72-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Shenzhen Inquiry
0.25g ≥95% 5 In Stock Shenzhen Inquiry
1g ≥95% 5 In Stock Beijing Inquiry
10g ≥95% 5 In Stock Shenzhen Inquiry
5g ≥95% 4 In Stock Shanghai Inquiry
25g ≥95% 3 In Stock Shenzhen Inquiry
100g ≥95% 3 In Stock Shanghai Inquiry

1404364-72-2 / 2-[(2,4-dichloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane

Standard CAS: 1404364-72-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1404364-72-2
Multi CAS
No
Molecular Formula
C12H16Cl2IN3OSi
Molecular Weight
444.170000
Exact Mass
442.948440
SMILES
C[Si](C)(C)CCOCN1C=C(C2=C1N=C(N=C2Cl)Cl)I
InChI
InChI=1S/C12H16Cl2IN3OSi/c1-20(2,3)5-4-19-7-18-6-8(15)9-10(13)16-12(14)17-11(9)18/h6H,4-5,7H2,1-3H3
InChIKey
GOSIUUKDKZGBNS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
94.37
TPSA
39.94

LogP / Solubility

WLOGP
4.66
MLOGP
4.13
XLogP3
4.66
Consensus LogP
4.48
Log S (ESOL)
-5.53
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.56
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.01
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.12

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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