CAS RN: 148672-09-7
ESTRONE 3-O-SULFAMATE
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250706 | 1mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS148672-09-7
- Purity/Analytical Methods: >99.0%
148672-09-7 / [(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] sulfamate
Basic Information
CAS
148672-09-7
Multi CAS
No
Molecular Formula
C18H23NO4S
Molecular Weight
349.400000
Exact Mass
349.134779
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)N
InChI
InChI=1S/C18H23NO4S/c1-18-9-8-14-13-5-3-12(23-24(19,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16H,2,4,6-9H2,1H3,(H2,19,21,22)/t14-,15-,16+,18+/m1/s1
InChIKey
RVKFQAJIXCZXQY-CBZIJGRNSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.61
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
89.8
TPSA
86.46
LogP / Solubility
WLOGP
2.69
MLOGP
2.39
XLogP3
2.4
Consensus LogP
2.49
Log S (ESOL)
-3.76
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.41
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
5
Customers Also Viewed
-
-
Pyrazinecarbonyl chloride, 6-chloro- (9CI)
- CAS RN: 148673-71-6
- Product Code: starshine_CAS148673-71-6
- Purity/Analytical method: >99.0%
-
TETRAHYDROIMIDAZO[1,5-A]PYRIDINE-1,3(2H,5H)-DIONE
- CAS RN: 148673-98-7
- Product Code: SSC-058894
-
-
-
![CAS 148673-98-7 TETRAHYDROIMIDAZO[1,5-A]PYRIDINE-1,3(2H,5H)-DIONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB0384029.gif)
