[email protected]
CAS 19590-55-7 2,4-DIBROMOESTRADIOL molecular structure lightbox
CAS RN: 19590-55-7

2,4-DIBROMOESTRADIOL

Product Availability

Available package options are listed below.

1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250111 25mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS19590-55-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

19590-55-7 / (8R,9S,13S,14S,17S)-2,4-dibromo-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol

Standard CAS: 19590-55-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19590-55-7
Multi CAS
No
Molecular Formula
C18H22Br2O2
Molecular Weight
430.200000
Exact Mass
429.996610
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C(C(=C(C=C34)Br)O)Br
InChI
InChI=1S/C18H22Br2O2/c1-18-7-6-9-10(13(18)4-5-15(18)21)2-3-11-12(9)8-14(19)17(22)16(11)20/h8-10,13,15,21-22H,2-7H2,1H3/t9-,10+,13-,15-,18-/m0/s1
InChIKey
UTXNYGUZJLLOSP-ZICKVNAASA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.67
H-bond acceptors
2
H-bond donors
2
Molar refractivity
94.13
TPSA
40.46

LogP / Solubility

WLOGP
5.13
MLOGP
4.55
XLogP3
5.4
Consensus LogP
5.03
Log S (ESOL)
-5.94
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.79
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.72
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)
-1.7

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us