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CAS 138489-18-6 RO-31-8220 molecular structure lightbox
CAS RN: 138489-18-6

RO-31-8220

Product Availability

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13 package records13 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260323 100mg In stock Inquiry
Batchno.20260222 10mg In stock Inquiry
Batchno.20250602 25mg In stock Inquiry
Batchno.20260414 50mg In stock Inquiry
Batchno.20260221 5mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250314 100mg In stock Shanghai Inquiry
Batchno.20250621 10mg In stock Shanghai Inquiry
Batchno.20251104 1mg In stock Shanghai Inquiry
Batchno.20250525 250mg In stock Shanghai Inquiry
Batchno.20260430 25mg In stock Shanghai Inquiry
Batchno.20250518 50mg In stock Shanghai Inquiry
Batchno.20251204 5mg In stock Shanghai Inquiry
Batchno.20250618 5mg / 25mg / 100mg / 250mg Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-048488
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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: 0.1g
  • 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 138489-18-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry

138489-18-6 / methanesulfonic acid;3-[3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]propyl carbamimidothioate

Standard CAS: 138489-18-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
138489-18-6
Multi CAS
No
Molecular Formula
C26H27N5O5S2
Molecular Weight
553.700000
Exact Mass
553.145361
SMILES
CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)CCCSC(=N)N.CS(=O)(=O)O
InChI
InChI=1S/C25H23N5O2S.CH4O3S/c1-29-13-17(15-7-2-4-9-19(15)29)21-22(24(32)28-23(21)31)18-14-30(11-6-12-33-25(26)27)20-10-5-3-8-16(18)20;1-5(2,3)4/h2-5,7-10,13-14H,6,11-12H2,1H3,(H3,26,27)(H,28,31,32);1H3,(H,2,3,4)
InChIKey
SAWVGDJBSPLRRB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
18
Fraction Csp3
0.19
Rotatable bonds
6
H-bond acceptors
8
H-bond donors
4
Molar refractivity
151.28
TPSA
160.27

LogP / Solubility

WLOGP
3.22
MLOGP
2.88
XLogP3
3.22
Consensus LogP
3.11
Log S (ESOL)
-5.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.43
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.65
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.81

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

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