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CAS 1638767-43-7 7-(benzenesulfonyl)-2-chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid molecular structure lightbox
CAS RN: 1638767-43-7

7-(benzenesulfonyl)-2-chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250915 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: SSC-071409
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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 1638767-43-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1638767-43-7 / 7-(benzenesulfonyl)-2-chloropyrrolo[2,3-d]pyrimidine-6-carboxylic acid

Standard CAS: 1638767-43-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1638767-43-7
Multi CAS
No
Molecular Formula
C13H8ClN3O4S
Molecular Weight
337.740000
Exact Mass
336.992405
SMILES
C1=CC=C(C=C1)S(=O)(=O)N2C(=CC3=CN=C(N=C32)Cl)C(=O)O
InChI
InChI=1S/C13H8ClN3O4S/c14-13-15-7-8-6-10(12(18)19)17(11(8)16-13)22(20,21)9-4-2-1-3-5-9/h1-7H,(H,18,19)
InChIKey
AMGRLUQLXMPYJB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
15
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
1
Molar refractivity
78.52
TPSA
102.15

LogP / Solubility

WLOGP
2.02
MLOGP
1.79
XLogP3
2.7
Consensus LogP
2.17
Log S (ESOL)
-3.51
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.79
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.89
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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