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CAS 66547-09-9 ANSAMITOCIN P-3 molecular structure lightbox
CAS RN: 66547-09-9

ANSAMITOCIN P-3

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251125 100mg In stock Shanghai Inquiry
Batchno.20250809 1g In stock Shanghai Inquiry
Batchno.20250801 250mg In stock Shanghai Inquiry
Batchno.20260401 25mg In stock Shanghai Inquiry
Batchno.20250915 50mg In stock Shanghai Inquiry
  • Product code: SSC-176237
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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: ≥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 66547-09-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

66547-09-9 / [(1S,2R,3S,5S,6S,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] 2-methylpropanoate

Standard CAS: 66547-09-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
66547-09-9
Multi CAS
Yes
Molecular Formula
C32H43CLN2O9
Molecular Weight
635.100000
Exact Mass
634.265709
InChI
InChI=1S/C32H43ClN2O9/c1-17(2)29(37)43-25-15-26(36)35(6)21-13-20(14-22(40-7)27(21)33)12-18(3)10-9-11-24(41-8)32(39)16-23(42-30(38)34-32)19(4)28-31(25,5)44-28/h9-11,13-14,17,19,23-25,28,39H,12,15-16H2,1-8H3,(H,34,38)/t19-,23+,24-,25+,28+,31+,32+/m1/s1
InChIKey
OPQNCARIZFLNLF-OWOYPUEESA-N

Computed Properties

Structural Parameters

Heavy atom count
44
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
4
H-bond acceptors
9
H-bond donors
2
Molar refractivity
163.56
TPSA
136.16

LogP / Solubility

WLOGP
4.32
MLOGP
3.86
XLogP3
3.1
Consensus LogP
3.76
Log S (ESOL)
-6.34
Class (ESOL)
Insoluble
Log S (Ali)
-7.89
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.86
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.52

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

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