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CAS 15087-02-2 1,3,5[10]-ESTRATRIENE-3,17BETA-DIOL 17-GLUCURONIDE SODIUM SALT molecular structure lightbox
CAS RN: 15087-02-2

1,3,5[10]-ESTRATRIENE-3,17BETA-DIOL 17-GLUCURONIDE SODIUM SALT

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5 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251014 10mg In stock Inquiry
Batchno.20250112 1mg Out of stock Inquiry
Batchno.20251207 25mg In stock Inquiry
Batchno.20250630 5mg In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260525 5mg / 10mg / 25mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS15087-02-2
  • Purity/Analytical Methods: >99.0%
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15087-02-2 / sodium (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]oxane-2-carboxylate

Standard CAS: 15087-02-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
15087-02-2
Multi CAS
No
Molecular Formula
C24H31NaO8
Molecular Weight
470.500000
Exact Mass
470.191662
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)[O-])O)O)O)CCC5=C3C=CC(=C5)O.[Na+]
InChI
InChI=1S/C24H32O8.Na/c1-24-9-8-14-13-5-3-12(25)10-11(13)2-4-15(14)16(24)6-7-17(24)31-23-20(28)18(26)19(27)21(32-23)22(29)30;/h3,5,10,14-21,23,25-28H,2,4,6-9H2,1H3,(H,29,30);/q;+1/p-1/t14-,15-,16+,17+,18+,19+,20-,21+,23-,24+;/m1./s1
InChIKey
UQSHTUQZFYMYFO-VGYGJRAWSA-M

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
6
Fraction Csp3
0.71
Rotatable bonds
3
H-bond acceptors
8
H-bond donors
4
Molar refractivity
109.29
TPSA
139.51

LogP / Solubility

WLOGP
-2.8
MLOGP
-2.44
XLogP3
-2.8
Consensus LogP
-2.68
Log S (ESOL)
-0.93
Class (ESOL)
Very soluble
Log S (Ali)
-1.39
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.75
Class (SILICOS-IT)
Very soluble

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
No
Log Kp (skin permeation)
-7.58

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
8.5

Safety & Transport

Pictogram(s)
Irritant Health Hazard
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation] H351 (100%): Suspected of causing cancer [Warning Carcinogenicity]
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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