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CAS 171335-80-1 Exatecan molecular structure lightbox
CAS RN: 171335-80-1

Exatecan

Product Availability

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7 package records7 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251226 100mg In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20250222 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
Batchno.20250104 10g In stock Shanghai Inquiry
Batchno.20250823 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250413 250mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20260115 50mg In stock Shanghai, Tianjin Inquiry
Batchno.20260204 5g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-075469
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.1g, 0.25g, 5g, 10g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 171335-80-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 3 In Stock Hong Kong Inquiry
0.1g >95% 2 In Stock Shanghai Inquiry
0.25g >95% 2 In Stock Beijing Inquiry
5g >95% 0 Out of Stock Beijing Inquiry
10g >95% 0 Out of Stock Shanghai Inquiry

171335-80-1 / (10S,23S)-23-amino-10-ethyl-18-fluoro-10-hydroxy-19-methyl-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)-heptaene-5,9-dione

Standard CAS: 171335-80-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
171335-80-1
Multi CAS
No
Molecular Formula
C24H22FN3O4
Molecular Weight
435.400000
Exact Mass
435.159434
SMILES
CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C5[C@H](CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)N)O
InChI
InChI=1S/C24H22FN3O4/c1-3-24(31)14-6-18-21-12(8-28(18)22(29)13(14)9-32-23(24)30)19-16(26)5-4-11-10(2)15(25)7-17(27-21)20(11)19/h6-7,16,31H,3-5,8-9,26H2,1-2H3/t16-,24-/m0/s1
InChIKey
ZVYVPGLRVWUPMP-FYSMJZIKSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
16
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
7
H-bond donors
2
Molar refractivity
114.47
TPSA
107.44

LogP / Solubility

WLOGP
2.47
MLOGP
2.2
XLogP3
0.4
Consensus LogP
1.69
Log S (ESOL)
-4.4
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.92
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.66
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.62

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5

Safety & Transport

Pictogram(s)
Acute Toxic Health Hazard
Signal
Danger
GHS Hazard Statements
H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral] H340 (100%): May cause genetic defects [Danger Germ cell mutagenicity] H360F (100%): May damage fertility [Danger Reproductive toxicity]
Precautionary Statement Codes
P203, P264, P270, P280, P301+P316, P318, P321, P330, P405, and P501

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