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CAS 1599440-13-7 Deruxtecan molecular structure lightbox
CAS RN: 1599440-13-7

Deruxtecan

Product Availability

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12 package records11 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251030 100mg In stock Shanghai Inquiry
Batchno.20250109 10mg In stock Shanghai Inquiry
Batchno.20260408 1g In stock Shanghai Inquiry
Batchno.20260325 1mg / 5mg / 10mg / 50mg / 200mg Confirm by inquiry Shanghai, Chongqing, Shandong Inquiry
Batchno.20250519 250mg In stock Shanghai Inquiry
Batchno.20250423 25mg In stock Shanghai Inquiry
Batchno.20260626 50mg In stock Shenzhen Inquiry
Batchno.20251204 5mg Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250504 100mg In stock Inquiry
Batchno.20251001 1mg In stock Inquiry
Batchno.20250309 25mg In stock Inquiry
Batchno.20251110 5mg In stock Inquiry
  • Product code: starshine_CAS1599440-13-7
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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: 0.01g, 0.025g, 0.05g, 0.1g
  • 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 1599440-13-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.01g >95% 0 Out of Stock Shenzhen Inquiry
0.025g >95% 0 Out of Stock Shanghai Inquiry
0.05g >95% 0 Out of Stock Hong Kong Inquiry
0.1g >95% 0 Out of Stock Shenzhen Inquiry

1599440-13-7 / 6-(2,5-dioxopyrrol-1-yl)-N-[2-[[2-[[(2S)-1-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]hexanamide

Standard CAS: 1599440-13-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1599440-13-7
Multi CAS
No
Molecular Formula
C52H56FN9O13
Molecular Weight
1034.100000
Exact Mass
1033.398161
SMILES
CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C5[C@H](CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)NC(=O)COCNC(=O)CNC(=O)[C@H](CC7=CC=CC=C7)NC(=O)CNC(=O)CNC(=O)CCCCCN8C(=O)C=CC8=O)O
InChI
InChI=1S/C52H56FN9O13/c1-3-52(73)33-19-38-48-31(24-62(38)50(71)32(33)25-75-51(52)72)47-35(14-13-30-28(2)34(53)20-36(60-48)46(30)47)58-43(67)26-74-27-57-41(65)22-56-49(70)37(18-29-10-6-4-7-11-29)59-42(66)23-55-40(64)21-54-39(63)12-8-5-9-17-61-44(68)15-16-45(61)69/h4,6-7,10-11,15-16,19-20,35,37,73H,3,5,8-9,12-14,17-18,21-27H2,1-2H3,(H,54,63)(H,55,64)(H,56,70)(H,57,65)(H,58,67)(H,59,66)/t35-,37-,52-/m0/s1
InChIKey
WXNSCLIZKHLNSG-MCZRLCSDSA-N

Computed Properties

Structural Parameters

Heavy atom count
75
Aromatic heavy atom count
22
Fraction Csp3
0.4
Rotatable bonds
22
H-bond acceptors
15
H-bond donors
7
Molar refractivity
262.82
TPSA
302.63

LogP / Solubility

WLOGP
0.28
MLOGP
0.35
XLogP3
-0.4
Consensus LogP
0.08
Log S (ESOL)
-5.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-8.24
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.26
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-8.83

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8

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