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CAS 875573-67-4 (7a,17b)-7-(9-Bromononyl)estra-1,3,5(10)-triene-3,17-diol molecular structure lightbox
CAS RN: 875573-67-4

(7a,17b)-7-(9-Bromononyl)estra-1,3,5(10)-triene-3,17-diol

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260608 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-197669
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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 875573-67-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

875573-67-4 / (7R,8R,9S,13S,14S,17S)-7-(9-bromononyl)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol

Standard CAS: 875573-67-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
875573-67-4
Multi CAS
Yes
Molecular Formula
C27H41BRO2
Molecular Weight
477.500000
Exact Mass
476.228990
InChI
InChI=1S/C27H41BrO2/c1-27-15-14-23-22-11-10-21(29)18-20(22)17-19(26(23)24(27)12-13-25(27)30)9-7-5-3-2-4-6-8-16-28/h10-11,18-19,23-26,29-30H,2-9,12-17H2,1H3/t19-,23-,24+,25+,26-,27+/m1/s1
InChIKey
ILWDBZWOZQESSY-NJGGNICLSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
6
Fraction Csp3
0.78
Rotatable bonds
9
H-bond acceptors
2
H-bond donors
2
Molar refractivity
128.33
TPSA
40.46

LogP / Solubility

WLOGP
7.35
MLOGP
6.5
XLogP3
8.4
Consensus LogP
7.42
Log S (ESOL)
-6.99
Class (ESOL)
Insoluble
Log S (Ali)
-8.78
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.95
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-0.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6

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