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CAS 1019206-88-2 4-[4-[[[[4-Chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-3-fluorophenoxy]-N-methyl-2-pyridinecarboxamide hydrate molecular structure lightbox
CAS RN: 1019206-88-2

4-[4-[[[[4-Chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-3-fluorophenoxy]-N-methyl-2-pyridinecarboxamide hydrate

Product Availability

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6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250224 100mg In stock Shanghai Inquiry
Batchno.20250805 10g Out of stock Inquiry
Batchno.20250928 1g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260527 250mg In stock Shanghai Inquiry
Batchno.20260522 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260129 5mg / 25mg / 100mg / 500mg / 1g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: SSC-003033
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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: 5g
  • 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 1019206-88-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

1019206-88-2 / 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide;hydrate

regorafenib monohydrate | RefChem:57912 | Regorafenib hydrate

Standard CAS: 1019206-88-2 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1019206-88-2
Multi CAS
Yes
Molecular Formula
C21H17ClF4N4O4
Molecular Weight
500.800000
Exact Mass
500.087445
SMILES
CNC(=O)C1=NC=CC(=C1)OC2=CC(=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)F.O
InChI
InChI=1S/C21H15ClF4N4O3.H2O/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26;/h2-10H,1H3,(H,27,31)(H2,29,30,32);1H2
InChIKey
ZOPOQLDXFHBOIH-UHFFFAOYSA-N
Synonyms
regorafenib monohydrate RefChem:57912 Regorafenib hydrate Regorafenib (monohydrate) Regorafenib hydrate [JAN]

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
18
Fraction Csp3
0.1
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
3
Molar refractivity
116.81
TPSA
123.85

LogP / Solubility

WLOGP
4.86
MLOGP
4.32
XLogP3
4.86
Consensus LogP
4.68
Log S (ESOL)
-6.07
Class (ESOL)
Insoluble
Log S (Ali)
-7.18
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.55
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-2.32

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Health Hazard Environmental Hazard
Signal
Danger
GHS Hazard Statements
H360Df (33.3%): May damage the unborn child; Suspected of damaging fertility [Danger Reproductive toxicity] H360FD (33.3%): May damage fertility; May damage the unborn child [Danger Reproductive toxicity] H361fd (33.3%): Suspected of damaging fertility; Suspected of damaging the unborn child [Warning Reproductive toxicity] H362 (66.7%): May cause harm to breast-fed children [Reproductive toxicity, effects on or via lactation] H372 (66.7%): Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]
Precautionary Statement Codes
P203, P260, P263, P264, P270, P273, P280, P318, P319, P391, P405, and P501

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