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CAS 133099-07-7 Darifenacin hydrobromide molecular structure lightbox
CAS RN: 133099-07-7

Darifenacin hydrobromide

Product Availability

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6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260108 1ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250608 100mg In stock Shanghai Inquiry
Batchno.20260527 1g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20250620 250mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260305 25g Out of stock Inquiry
Batchno.20250830 5g In stock Shanghai, Shenzhen, Tianjin Inquiry
  • Product code: SSC-039793
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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: 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 133099-07-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

133099-07-7 / 2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;hydrobromide

Standard CAS: 133099-07-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
133099-07-7
Multi CAS
No
Molecular Formula
C28H31BrN2O2
Molecular Weight
507.500000
Exact Mass
506.156890
SMILES
C1CN(C[C@@H]1C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N)CCC4=CC5=C(C=C4)OCC5.Br
InChI
InChI=1S/C28H30N2O2.BrH/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26;/h1-12,19,25H,13-18,20H2,(H2,29,31);1H/t25-;/m1./s1
InChIKey
UQAVIASOPREUIT-VQIWEWKSSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
18
Fraction Csp3
0.32
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
1
Molar refractivity
137.07
TPSA
55.56

LogP / Solubility

WLOGP
4.54
MLOGP
4.03
XLogP3
4.54
Consensus LogP
4.37
Log S (ESOL)
-5.79
Class (ESOL)
Slightly soluble
Log S (Ali)
-7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.56
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.6

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (95.1%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (95.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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