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CAS 1038588-24-7 2,4-dichloro-7H-Pyrrolo[2,3-d]pyriMidine-7-carboxylic acid 1,1-diMethylethyl ester molecular structure lightbox
CAS RN: 1038588-24-7

2,4-dichloro-7H-Pyrrolo[2,3-d]pyriMidine-7-carboxylic acid 1,1-diMethylethyl ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251129 1g / 5g / 25g Out of stock 5-7 business days Inquiry
  • Product code: SSC-005492
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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: 0.25g, 1g, 5g, 10g
  • Available purity: >97%
  • Inventory rows with stock: 2
  • 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 1038588-24-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 1 In Stock Shanghai Inquiry
1g >97% 1 In Stock Beijing Inquiry
5g >97% 0 Out of Stock Hong Kong Inquiry
10g >97% 0 Out of Stock Shanghai Inquiry

1038588-24-7 / tert-butyl 2,4-dichloropyrrolo[2,3-d]pyrimidine-7-carboxylate

tert-butyl 2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine-7-carboxylate | 2,4-Dichloro-7H-pyrrolo[2,3-d]pyrimidine-7-carboxylic acid 1,1-dimethylethyl ester | tert-Butyl 2,4-dichloropyrrolo[2,3-d]pyrimidine-7-carboxylate

Standard CAS: 1038588-24-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1038588-24-7
Multi CAS
No
Molecular Formula
C11H11Cl2N3O2
Molecular Weight
288.130000
Exact Mass
287.022832
SMILES
CC(C)(C)OC(=O)N1C=CC2=C1N=C(N=C2Cl)Cl
InChI
InChI=1S/C11H11Cl2N3O2/c1-11(2,3)18-10(17)16-5-4-6-7(12)14-9(13)15-8(6)16/h4-5H,1-3H3
InChIKey
VLWHADKTLVXEID-UHFFFAOYSA-N
Synonyms
tert-butyl 2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine-7-carboxylate 2,4-Dichloro-7H-pyrrolo[2,3-d]pyrimidine-7-carboxylic acid 1,1-dimethylethyl ester tert-Butyl 2,4-dichloropyrrolo[2,3-d]pyrimidine-7-carboxylate MFCD24467527 7-Boc-2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
9
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
69.18
TPSA
57.01

LogP / Solubility

WLOGP
3.52
MLOGP
3.11
XLogP3
3.8
Consensus LogP
3.48
Log S (ESOL)
-4.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.47
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.46
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.98

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
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]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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