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CAS 1613724-42-7 HTH-01-015 molecular structure lightbox
CAS RN: 1613724-42-7

HTH-01-015

Product Availability

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityInquiry
Batchno.20251113 100mg In stock Inquiry
Batchno.20260112 10mg In stock Inquiry
Batchno.20250604 50mg In stock Inquiry
Batchno.20251129 5mg In stock Inquiry
Batch No.PackageAvailabilityInquiry
Batchno.20250609 1ml In stock Inquiry
  • Product code: SSC-069077
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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 1613724-42-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

1613724-42-7 / 2,7,9-trimethyl-5-[(1-piperidin-4-ylpyrazol-4-yl)amino]-2,4,6,9-tetrazatetracyclo[9.8.0.03,8.013,18]nonadeca-1(19),3,5,7,11,13,15,17-octaen-10-one

Standard CAS: 1613724-42-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1613724-42-7
Multi CAS
No
Molecular Formula
C26H28N8O
Molecular Weight
468.600000
Exact Mass
468.238608
SMILES
CC1=C2C(=NC(=N1)NC3=CN(N=C3)C4CCNCC4)N(C5=CC6=CC=CC=C6C=C5C(=O)N2C)C
InChI
InChI=1S/C26H28N8O/c1-16-23-24(31-26(29-16)30-19-14-28-34(15-19)20-8-10-27-11-9-20)32(2)22-13-18-7-5-4-6-17(18)12-21(22)25(35)33(23)3/h4-7,12-15,20,27H,8-11H2,1-3H3,(H,29,30,31)
InChIKey
CHSDJDLAKKAWCI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
21
Fraction Csp3
0.31
Rotatable bonds
3
H-bond acceptors
8
H-bond donors
2
Molar refractivity
138.16
TPSA
91.21

LogP / Solubility

WLOGP
4.16
MLOGP
3.69
XLogP3
3.2
Consensus LogP
3.68
Log S (ESOL)
-5.61
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.41
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.52
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.62

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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