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CAS 1627721-56-5 4-(4-chloro-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethylisoxazole molecular structure lightbox
CAS RN: 1627721-56-5

4-(4-chloro-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethylisoxazole

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250919 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: SSC-070144
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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 1627721-56-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

1627721-56-5 / 4-(4-chloro-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole

Standard CAS: 1627721-56-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1627721-56-5
Multi CAS
No
Molecular Formula
C16H13ClN4O2
Molecular Weight
328.750000
Exact Mass
328.072703
SMILES
CC1=C(C(=NO1)C)C2=C(C=C3C(=C2)NC4=C3C(=NC=N4)Cl)OC
InChI
InChI=1S/C16H13ClN4O2/c1-7-13(8(2)23-21-7)10-4-11-9(5-12(10)22-3)14-15(17)18-6-19-16(14)20-11/h4-6H,1-3H3,(H,18,19,20)
InChIKey
CODMIPQTVMYKBE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
18
Fraction Csp3
0.19
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
87.93
TPSA
76.83

LogP / Solubility

WLOGP
4.04
MLOGP
3.57
XLogP3
3.8
Consensus LogP
3.8
Log S (ESOL)
-4.87
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.39
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.85

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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