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CAS 136310-93-5 Tiotropium Bromide molecular structure lightbox
CAS RN: 136310-93-5

Tiotropium Bromide

Product Availability

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6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250514 1g Out of stock 8-10 business days Inquiry
Batchno.20250624 200mg In stock Shanghai Inquiry
Batchno.20260404 50mg In stock Shanghai, Chongqing Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251212 100mg In stock Shanghai Inquiry
Batchno.20260220 1g In stock Shanghai Inquiry
Batchno.20260517 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
  • Product code: SSC-045208
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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 136310-93-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

136310-93-5 / [(1R,2R,4S,5S)-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate bromide

Standard CAS: 136310-93-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
136310-93-5
Multi CAS
No
Molecular Formula
C19H22BrNO4S2
Molecular Weight
472.400000
Exact Mass
471.017360
SMILES
C[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)C(C4=CC=CS4)(C5=CC=CS5)O)C.[Br-]
InChI
InChI=1S/C19H22NO4S2.BrH/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15;/h3-8,11-13,16-17,22H,9-10H2,1-2H3;1H/q+1;/p-1/t11?,12-,13+,16-,17+;
InChIKey
DQHNAVOVODVIMG-RGECMCKFSA-M

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
10
Fraction Csp3
0.53
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
99.1
TPSA
59.06

LogP / Solubility

WLOGP
-0.65
MLOGP
-0.54
XLogP3
-0.65
Consensus LogP
-0.61
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.67
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7.5

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