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CAS 173937-91-2 atrasentan molecular structure lightbox
CAS RN: 173937-91-2

atrasentan

Product Availability

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6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260310 100mg In stock Shanghai Inquiry
Batchno.20260515 1g In stock Shanghai Inquiry
Batchno.20251008 250mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250819 10mg In stock Inquiry
Batchno.20260309 250mg In stock Inquiry
Batchno.20260518 50mg In stock Inquiry
  • Product code: SSC-076335
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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 173937-91-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

173937-91-2 / (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid

Standard CAS: 173937-91-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
173937-91-2
Multi CAS
No
Molecular Formula
C29H38N2O6
Molecular Weight
510.600000
Exact Mass
510.272987
SMILES
CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1C2=CC=C(C=C2)OC)C(=O)O)C3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C29H38N2O6/c1-4-6-14-30(15-7-5-2)26(32)18-31-17-23(21-10-13-24-25(16-21)37-19-36-24)27(29(33)34)28(31)20-8-11-22(35-3)12-9-20/h8-13,16,23,27-28H,4-7,14-15,17-19H2,1-3H3,(H,33,34)/t23-,27-,28+/m1/s1
InChIKey
MOTJMGVDPWRKOC-QPVYNBJUSA-N

Computed Properties

Structural Parameters

Heavy atom count
37
Aromatic heavy atom count
12
Fraction Csp3
0.52
Rotatable bonds
12
H-bond acceptors
6
H-bond donors
1
Molar refractivity
140.14
TPSA
88.54

LogP / Solubility

WLOGP
4.69
MLOGP
4.17
XLogP3
2.4
Consensus LogP
3.75
Log S (ESOL)
-5.41
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.14
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.32
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.5

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6

Safety & Transport

Pictogram(s)
Irritant Health Hazard
Signal
Danger
GHS Hazard Statements
H302 (98%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (98%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (98%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H360 (98%): May damage fertility or the unborn child [Danger Reproductive toxicity]
Precautionary Statement Codes
P203, P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P318, P321, P330, P332+P317, P337+P317, P362+P364, P405, and P501

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