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CAS 147221-93-0 DELAVIRDINE, MESYLATE molecular structure lightbox
CAS RN: 147221-93-0

DELAVIRDINE, MESYLATE

Product Availability

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9 package records9 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260324 100mg In stock Inquiry
Batchno.20250217 250mg In stock Inquiry
Batchno.20260204 25mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250125 10mg / 50mg / 250mg Confirm by inquiry Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260128 100mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250112 10mg In stock Shanghai, Wuhan Inquiry
Batchno.20250126 1mg In stock Shanghai, Wuhan Inquiry
Batchno.20250302 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20251024 50mg In stock Shanghai, Shenzhen Inquiry
  • Product code: SSC-057998
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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: >97%
  • 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 147221-93-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 0 Out of Stock Hong Kong Inquiry

147221-93-0 / methanesulfonic acid;N-[2-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide

Standard CAS: 147221-93-0 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
147221-93-0
Multi CAS
No
Molecular Formula
C23H32N6O6S2
Molecular Weight
552.700000
Exact Mass
552.182475
SMILES
CC(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)NS(=O)(=O)C.CS(=O)(=O)O
InChI
InChI=1S/C22H28N6O3S.CH4O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20;1-5(2,3)4/h4-8,13-15,24-26H,9-12H2,1-3H3;1H3,(H,2,3,4)
InChIKey
MEPNHSOMXMALDZ-UHFFFAOYSA-N

Physical Properties

Melting Point
MP: 226-228 °C /Delavirdine/
Appearance
White to tan crystalline powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
37
Aromatic heavy atom count
15
Fraction Csp3
0.39
Rotatable bonds
6
H-bond acceptors
8
H-bond donors
4
Molar refractivity
145.35
TPSA
164.8

LogP / Solubility

WLOGP
2.22
MLOGP
2
XLogP3
2.22
Consensus LogP
2.15
Log S (ESOL)
-4.57
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.7
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.82
Class (SILICOS-IT)
Slightly soluble

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
No
Log Kp (skin permeation)
-4.51

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
4.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (92.9%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (92.9%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (92.9%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (92.9%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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