CAS RN: 1961358-02-0
(3β,7β,12β,20Z )- 3,7,12- trihydroxy-11,15,23-trioxo-lanost-8,20-dien-26-oic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260601 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1961358-02-0
- Purity/Analytical Methods: >99.0%
1961358-02-0 / (Z)-2-methyl-4-oxo-6-[(3S,5R,7S,10S,12S,13R,14R,17R)-3,7,12-trihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-enoic acid
Basic Information
CAS
1961358-02-0
Multi CAS
No
Molecular Formula
C30H42O8
Molecular Weight
530.600000
Exact Mass
530.287968
SMILES
CC(CC(=O)/C=C(/C)\[C@H]1CC(=O)[C@@]2([C@@]1([C@@H](C(=O)C3=C2[C@H](C[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O)O)C)C)C(=O)O
InChI
InChI=1S/C30H42O8/c1-14(10-16(31)11-15(2)26(37)38)17-12-21(34)30(7)22-18(32)13-19-27(3,4)20(33)8-9-28(19,5)23(22)24(35)25(36)29(17,30)6/h10,15,17-20,25,32-33,36H,8-9,11-13H2,1-7H3,(H,37,38)/b14-10-/t15?,17-,18+,19+,20+,25-,28+,29+,30+/m1/s1
InChIKey
YPBOVCHDEBYUDW-HRLXDLDBSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Fraction Csp3
0.73
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
4
Molar refractivity
138.79
TPSA
149.2
LogP / Solubility
WLOGP
3.02
MLOGP
2.7
XLogP3
1.8
Consensus LogP
2.51
Log S (ESOL)
-4.7
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.09
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.22
Class (SILICOS-IT)
Insoluble
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
Yes
Log Kp (skin permeation)
-3.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
9
Customers Also Viewed
-
1,4-Benzoxazepin-5(2H)-one, 8-bromo-6-fluoro-3,4-dihydro-
- CAS RN: 1962125-90-1
- Product Code: starshine_CAS1962125-90-1
- Purity/Analytical method: >99.0%
-
CCT 241533 dihydrochloride
- CAS RN: 1962925-28-5
- Product Code: starshine_CAS1962925-28-5
- Purity/Analytical method: >99.0%
-
(2S)-2-[[(2S)-6,8-Difluoro-1,2,3,4-tetrahydro-2-naphthalenyl]amino]-N-[1-[2-[(2,2-dimethylpropyl)amino]-1,1-dimethylethyl]-1H-imidazol-4-yl]pentanamide dihydrobromide
- CAS RN: 1962925-29-6
- Product Code: starshine_CAS1962925-29-6
- Purity/Analytical method: >99.0%
-
BGC 20-1531 (hydrochloride)
- CAS RN: 1962928-26-2
- Product Code: starshine_CAS1962928-26-2
- Purity/Analytical method: >99.0%
-
tert-butyl (3S)-3-amino-3-methyl-piperidine-1-carboxylate
- CAS RN: 1962928-76-2
- Product Code: SSC-092714
-
3-Bromo-4-[2-fluoro-4-[[4-oxo-2-[[2-(pyridin-2-yl)ethyl]amino]-1,3-thiazol-5-(4H)ylidene]methyl]phenoxy]benzonitrile
- CAS RN: 1962931-71-0
- Product Code: starshine_CAS1962931-71-0
- Purity/Analytical method: >99.0%
![CAS 1962925-29-6 (2S)-2-[[(2S)-6,8-Difluoro-1,2,3,4-tetrahydro-2-naphthalenyl]amino]-N-[1-[2-[(2,2-dimethylpropyl)amino]-1,1-dimethylethyl]-1H-imidazol-4-yl]pentanamide dihydrobromide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1962925-29-6.gif)
![CAS 1962931-71-0 3-Bromo-4-[2-fluoro-4-[[4-oxo-2-[[2-(pyridin-2-yl)ethyl]amino]-1,3-thiazol-5-(4H)ylidene]methyl]phenoxy]benzonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1962931-71-0.gif)