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CAS 13951-70-7 11a,16b,17,21-Tetrahydroxy-pregna-1,4-diene-3,20-dione molecular structure lightbox
CAS RN: 13951-70-7

11a,16b,17,21-Tetrahydroxy-pregna-1,4-diene-3,20-dione

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250814 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Hebei Inquiry
  • Product code: SSC-050150
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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, 5g, 10g, 25g, 0.25g, 100g
  • Available purity: >97%
  • Inventory rows with stock: 6
  • 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 13951-70-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Hong Kong Inquiry
5g >97% 5 In Stock Beijing Inquiry
10g >97% 5 In Stock Beijing Inquiry
25g >97% 5 In Stock Shenzhen Inquiry
0.25g >97% 4 In Stock Beijing Inquiry
100g >97% 4 In Stock Hong Kong Inquiry

13951-70-7 / (8S,9S,10R,11S,13S,14S,16R,17S)-11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one

Standard CAS: 13951-70-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13951-70-7
Multi CAS
No
Molecular Formula
C21H28O6
Molecular Weight
376.400000
Exact Mass
376.188589
SMILES
C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1C[C@H]([C@@]2(C(=O)CO)O)O)CCC4=CC(=O)C=C[C@]34C)O
InChI
InChI=1S/C21H28O6/c1-19-6-5-12(23)7-11(19)3-4-13-14-8-16(25)21(27,17(26)10-22)20(14,2)9-15(24)18(13)19/h5-7,13-16,18,22,24-25,27H,3-4,8-10H2,1-2H3/t13-,14-,15-,16+,18+,19-,20-,21-/m0/s1
InChIKey
SEKYBDYVXDAYPY-ILNISADRSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Fraction Csp3
0.71
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
4
Molar refractivity
96.44
TPSA
115.06

LogP / Solubility

WLOGP
0.53
MLOGP
0.49
XLogP3
1.2
Consensus LogP
0.74
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.79
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.64

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
7

Safety & Transport

Pictogram(s)
Health Hazard
Signal
Danger
GHS Hazard Statements
H360 (23.1%): May damage fertility or the unborn child [Danger Reproductive toxicity] H361 (59%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity] H362 (23.1%): May cause harm to breast-fed children [Reproductive toxicity, effects on or via lactation] H373 (25.6%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
Precautionary Statement Codes
P203, P260, P263, P264, P270, P280, P318, P319, P405, and P501

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