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CAS 1389264-16-7 4-Chloro-5-(Methylsulfinyl)-7H-pyrrolo[2,3-d]pyriMidine molecular structure lightbox
CAS RN: 1389264-16-7

4-Chloro-5-(Methylsulfinyl)-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.20250405 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: SSC-049060
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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 1389264-16-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1389264-16-7 / 4-chloro-5-methylsulfinyl-7H-pyrrolo[2,3-d]pyrimidine

Standard CAS: 1389264-16-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1389264-16-7
Multi CAS
No
Molecular Formula
C7H6ClN3OS
Molecular Weight
215.660000
Exact Mass
214.992011
SMILES
CS(=O)C1=CNC2=C1C(=NC=N2)Cl
InChI
InChI=1S/C7H6ClN3OS/c1-13(12)4-2-9-7-5(4)6(8)10-3-11-7/h2-3H,1H3,(H,9,10,11)
InChIKey
MYFWLFQVXDPMHU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
51.23
TPSA
58.64

LogP / Solubility

WLOGP
1.35
MLOGP
1.19
XLogP3
0.7
Consensus LogP
1.08
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.3
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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