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CAS 138402-11-6 Irbesartan molecular structure lightbox
CAS RN: 138402-11-6

Irbesartan

Product Availability

Choose a grade to view its available package options.

6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260117 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Hebei, Chongqing Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260116 100g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251012 10g In stock Shanghai, Chengdu Inquiry
Batchno.20251028 25g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260629 500g Out of stock Inquiry
Batchno.20251109 5g In stock Shanghai, Shenzhen, Chengdu Inquiry
  • Product code: SSC-048323
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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: 100g
  • Available purity: ≥98%
  • 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 138402-11-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥98% 0 Out of Stock Beijing Inquiry

138402-11-6 / 2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one

Standard CAS: 138402-11-6 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
138402-11-6
Multi CAS
No
Molecular Formula
C25H28N6O
Molecular Weight
428.500000
Exact Mass
428.232460
SMILES
CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5
InChI
InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30)
InChIKey
YOSHYTLCDANDAN-UHFFFAOYSA-N

Physical Properties

Melting Point
180-181 °C 180 - 181 °C
Physical Description
Solid
Appearance
Crystals from 96% ethanol
State
Solid
Storage Conditions
Store at 25 °C (77 °F); excursions permitted to 15-30 °C (59-86 °F). Conditions for safe storage, including any incompatibilities: Keep container tightly closed in a dry and well-ventilated place. Recommended storage temperature: 2 - 8 °C.

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
17
Fraction Csp3
0.4
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
1
Molar refractivity
123.76
TPSA
87.13

LogP / Solubility

WLOGP
4.78
MLOGP
4.23
XLogP3
4.1
Consensus LogP
4.37
Log S (ESOL)
-5.44
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.52
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.25
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)
-1.94

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5

Safety & Transport

Pictogram(s)
Irritant Health Hazard
Signal
Danger
GHS Hazard Statements
H315 (57.7%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (56.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (56.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H360 (24%): May damage fertility or the unborn child [Danger Reproductive toxicity] H361 (17.3%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
Precautionary Statement Codes
P203, P260, P261, P263, P264, P264+P265, P270, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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