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CAS 1060816-55-8 2-Chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid molecular structure lightbox
CAS RN: 1060816-55-8

2-Chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250208 100mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-007905
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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: 0.25g
  • 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 1060816-55-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

1060816-55-8 / 2-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid

2-Chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid | MFCD13189412 | 2-Chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylicacid

Standard CAS: 1060816-55-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1060816-55-8
Multi CAS
Yes
Molecular Formula
C7H4ClN3O2
Molecular Weight
197.580000
Exact Mass
196.999204
SMILES
C1=C(C2=CN=C(N=C2N1)Cl)C(=O)O
InChI
InChI=1S/C7H4ClN3O2/c8-7-10-1-3-4(6(12)13)2-9-5(3)11-7/h1-2H,(H,12,13)(H,9,10,11)
InChIKey
DCNOQQZEOOJBGQ-UHFFFAOYSA-N
Synonyms
2-Chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid MFCD13189412 2-Chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylicacid DTXSID70743659 AKOS016006037

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
45.86
TPSA
78.87

LogP / Solubility

WLOGP
1.31
MLOGP
1.15
XLogP3
1.2
Consensus LogP
1.22
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.13
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.15
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

Drug-likeness / Medicinal Chemistry

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

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