CAS RN: 120685-11-2

Midostaurin

Product Availability

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10 package records9 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260526 100mg / 250mg Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250327 100mg In stock Shanghai Inquiry
Batchno.20251109 100mg / 250mg / 1g Confirm by inquiry Shanghai, Shandong Inquiry
Batchno.20260219 1g In stock Shanghai Inquiry
Batchno.20250113 250mg In stock Shanghai, Shenzhen, Wuhan Inquiry
Batchno.20251211 50mg In stock Shanghai Inquiry
Batchno.20260207 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250817 1g In stock Inquiry
Batchno.20250521 250mg In stock Inquiry
Batchno.20250512 50mg Out of stock Inquiry
  • Product code: SSC-021765
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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: ≥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 120685-11-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shenzhen Inquiry

120685-11-2 / N-[(2S,3R,4R,6R)-3-methoxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl]-N-methylbenzamide

DTXSID40923522 | HB0521 | N-[(5R,6S,7R,8S)-15-Hydroxy-7-methoxy-7,8-dimethyl-5,6,7,8-tetrahydro-13H-5,8-epoxy-4b,8a,14-triazadibenzo[b,h]cycloocta[1,2,3,4-jkl]cyclopenta[e]-as-indacen-6-yl]-N-methylbenzamide

Standard CAS: 120685-11-2 Multi CAS: Yes

Basic Information

CAS
120685-11-2
Multi CAS
Yes
Molecular Formula
C35H30N4O4
Molecular Weight
570.600000
Exact Mass
570.226705
SMILES
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC
InChI
InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1
InChIKey
BMGQWWVMWDBQGC-IIFHNQTCSA-N
Synonyms
DTXSID40923522 HB0521 N-[(5R,6S,7R,8S)-15-Hydroxy-7-methoxy-7,8-dimethyl-5,6,7,8-tetrahydro-13H-5,8-epoxy-4b,8a,14-triazadibenzo[b,h]cycloocta[1,2,3,4-jkl]cyclopenta[e]-as-indacen-6-yl]-N-methylbenzamide

Physical Properties

Melting Point
235-260

Computed Properties

Structural Parameters

Heavy atom count
43
Aromatic heavy atom count
26
Fraction Csp3
0.26
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
1
Molar refractivity
165.12
TPSA
77.73

LogP / Solubility

WLOGP
5.91
MLOGP
5.24
XLogP3
4.8
Consensus LogP
5.32
Log S (ESOL)
-7.35
Class (ESOL)
Insoluble
Log S (Ali)
-8.5
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.63
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-2.01

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
10

Safety & Transport

Pictogram(s)
Irritant Health Hazard Environmental Hazard
Signal
Danger
GHS Hazard Statements
H302 (40%): Harmful if swallowed [Warning Acute toxicity, oral] H319 (20%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (20%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H360 (20%): May damage fertility or the unborn child [Danger Reproductive toxicity] H360Df (20%): May damage the unborn child; Suspected of damaging fertility [Danger Reproductive toxicity]
Precautionary Statement Codes
P203, P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P304+P340, P305+P351+P338, P318, P319, P330, P337+P317, P391, P403+P233, P405, and P501

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