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CAS 16561-29-8 PHORBOL 12-MYRISTATE 13-ACETATE molecular structure lightbox
CAS RN: 16561-29-8

PHORBOL 12-MYRISTATE 13-ACETATE

Product Availability

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7 package records7 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260307 100mg In stock Shanghai Inquiry
Batchno.20260515 10mg In stock Shanghai Inquiry
Batchno.20260612 1g In stock Shanghai Inquiry
Batchno.20250731 250mg In stock Shanghai Inquiry
Batchno.20250914 25mg In stock Shanghai Inquiry
Batchno.20250824 50mg In stock Shanghai Inquiry
Batchno.20250908 5mg In stock Shanghai Inquiry
  • Product code: SSC-072323
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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: 0.1g
  • 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 16561-29-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry

16561-29-8 / [(1S,2S,6R,10S,11R,13S,14R,15R)-13-acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] tetradecanoate

Standard CAS: 16561-29-8 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
16561-29-8
Multi CAS
No
Molecular Formula
C36H56O8
Molecular Weight
616.800000
Exact Mass
616.397519
SMILES
CCCCCCCCCCCCCC(=O)O[C@@H]1[C@H]([C@]2([C@@H](C=C(C[C@]3([C@H]2C=C(C3=O)C)O)CO)[C@H]4[C@@]1(C4(C)C)OC(=O)C)O)C
InChI
InChI=1S/C36H56O8/c1-7-8-9-10-11-12-13-14-15-16-17-18-29(39)43-32-24(3)35(42)27(30-33(5,6)36(30,32)44-25(4)38)20-26(22-37)21-34(41)28(35)19-23(2)31(34)40/h19-20,24,27-28,30,32,37,41-42H,7-18,21-22H2,1-6H3/t24-,27+,28-,30-,32-,34-,35-,36-/m1/s1
InChIKey
PHEDXBVPIONUQT-RGYGYFBISA-N

Physical Properties

Melting Point
162 °F (NTP, 1992) 50-70 °C (melting pt-freezing pt)
Physical Description
12-o-tetradecanoylphorbol-13-acetate appears as white crystals. (NTP, 1992) White solid; [CAMEO] Colorless powder
Appearance
Oil White crystals Colorless powder Amorphous film, solid
State
Solid
Storage Conditions
STORAGE PRECAUTIONS: You should protect this chemical from exposure to light. Keep the container tightly closed under an inert atmosphere, and store it in a freezer. (NTP, 1992) Keep container tightly closed in a dry and well-ventilated place. Recommended storage temperature -20 °C. Keep in a dry place.

Computed Properties

Structural Parameters

Heavy atom count
44
Fraction Csp3
0.81
Rotatable bonds
15
H-bond acceptors
8
H-bond donors
3
Molar refractivity
167.32
TPSA
130.36

LogP / Solubility

WLOGP
5.75
MLOGP
5.11
XLogP3
6.5
Consensus LogP
5.79
Log S (ESOL)
-6.3
Class (ESOL)
Insoluble
Log S (Ali)
-8.77
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.24
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
Yes
Log Kp (skin permeation)
-2.4

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (98.3%): Causes skin irritation [Warning Skin corrosion/irritation] H315: Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement Codes
P264, P280, P302+P352, P321, P332+P317, and P362+P364

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