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CAS 173458-87-2 4-Chloro-6,7,8,9-Tetrahydro-5H-Pyrimido[4,5-B]Indole molecular structure lightbox
CAS RN: 173458-87-2

4-Chloro-6,7,8,9-Tetrahydro-5H-Pyrimido[4,5-B]Indole

Product Availability

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4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260621 100mg In stock Shanghai, Shenzhen Inquiry
Batchno.20251121 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20260507 1g Out of stock Inquiry
Batchno.20251127 250mg In stock Shanghai Inquiry
  • Product code: SSC-076172
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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 173458-87-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

173458-87-2 / 4-chloro-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole

Standard CAS: 173458-87-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
173458-87-2
Multi CAS
No
Molecular Formula
C10H10ClN3
Molecular Weight
207.660000
Exact Mass
207.056325
SMILES
C1CCC2=C(C1)C3=C(N2)N=CN=C3Cl
InChI
InChI=1S/C10H10ClN3/c11-9-8-6-3-1-2-4-7(6)14-10(8)13-5-12-9/h5H,1-4H2,(H,12,13,14)
InChIKey
SFKNMBDVWLKVID-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
55.54
TPSA
41.57

LogP / Solubility

WLOGP
2.49
MLOGP
2.19
XLogP3
2.9
Consensus LogP
2.53
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.08
Class (SILICOS-IT)
Poorly 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)
-2.22

Drug-likeness / Medicinal Chemistry

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

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