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CAS 113-38-2 Estradiol Dipropionate molecular structure lightbox
CAS RN: 113-38-2

Estradiol Dipropionate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250108 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-013233
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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 113-38-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

113-38-2 / [(8R,9S,13S,14S,17S)-13-methyl-3-propanoyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] propanoate

17-BETA-ESTRADIOL3,17-DIPROPIONATE | Oprea1_555259 | Estra-1,3,5(10)-triene-3,17-diol (17.beta.)-, dipropanoate

Standard CAS: 113-38-2 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
113-38-2
Multi CAS
Yes
Molecular Formula
C24H32O4
Molecular Weight
384.500000
Exact Mass
384.230060
SMILES
CCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C3C=CC(=C4)OC(=O)CC)C
InChI
InChI=1S/C24H32O4/c1-4-22(25)27-16-7-9-17-15(14-16)6-8-19-18(17)12-13-24(3)20(19)10-11-21(24)28-23(26)5-2/h7,9,14,18-21H,4-6,8,10-13H2,1-3H3/t18-,19-,20+,21+,24+/m1/s1
InChIKey
JQIYNMYZKRGDFK-RUFWAXPRSA-N
Synonyms
17-BETA-ESTRADIOL3,17-DIPROPIONATE Oprea1_555259 Estra-1,3,5(10)-triene-3,17-diol (17.beta.)-, dipropanoate CHEMBL4787734 HMS5085F15

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
107.16
TPSA
52.6

LogP / Solubility

WLOGP
5.18
MLOGP
4.58
XLogP3
4.3
Consensus LogP
4.69
Log S (ESOL)
-5.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.45
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.94
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.39

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

Safety & Transport

Pictogram(s)
Irritant Health Hazard
Signal
Danger
GHS Hazard Statements
H302 (29.8%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (29.8%): Harmful in contact with skin [Warning Acute toxicity, dermal] H332 (29.8%): Harmful if inhaled [Warning Acute toxicity, inhalation] H351 (100%): Suspected of causing cancer [Warning Carcinogenicity] H360 (29.8%): May damage fertility or the unborn child [Danger Reproductive toxicity]
Precautionary Statement Codes
P203, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P405, and P501

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