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CAS 139893-43-9 Simvastatin ammonium salt molecular structure lightbox
CAS RN: 139893-43-9

Simvastatin ammonium salt

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260630 1g In stock Shanghai Inquiry
Batchno.20250519 250mg In stock Shanghai Inquiry
Batchno.20250321 25g Out of stock Inquiry
Batchno.20250919 5g In stock Shanghai Inquiry
  • Product code: SSC-050393
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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: 5g
  • 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 139893-43-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

139893-43-9 / azanium (3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate

Standard CAS: 139893-43-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
139893-43-9
Multi CAS
No
Molecular Formula
C25H43NO6
Molecular Weight
453.600000
Exact Mass
453.309038
SMILES
CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)[O-])O)O)C.[NH4+]
InChI
InChI=1S/C25H40O6.H3N/c1-6-25(4,5)24(30)31-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-18(26)13-19(27)14-22(28)29;/h7-8,11,15-16,18-21,23,26-27H,6,9-10,12-14H2,1-5H3,(H,28,29);1H3/t15-,16-,18+,19+,20-,21-,23-;/m0./s1
InChIKey
FFPDWNBTEIXJJF-OKDJMAGBSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Fraction Csp3
0.76
Rotatable bonds
10
H-bond acceptors
6
H-bond donors
3
Molar refractivity
122.57
TPSA
143.39

LogP / Solubility

WLOGP
3.15
MLOGP
2.8
XLogP3
3.15
Consensus LogP
3.03
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.55
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.42
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)
-3.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6

Safety & Transport

Pictogram(s)
Corrosive Irritant Health Hazard
Signal
Danger Warning
GHS Hazard Statements
H315 (48.1%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (45.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H351 (53.2%): Suspected of causing cancer [Warning Carcinogenicity] H360 (51.9%): May damage fertility or the unborn child [Danger Reproductive toxicity] H372 (45.5%): Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]
Precautionary Statement Codes
P203, P260, P264, P264+P265, P270, P273, P280, P302+P352, P305+P354+P338, P317, P318, P319, P321, P332+P317, P362+P364, P405, and P501 P203, P260, P263, P264, P264+P265, P270, P273, P280, P302+P352, P305+P354+P338, P317, P318, P319, P321, P332+P317, P362+P364, P405, and P501 P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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