CAS RN: 13732-69-9
NORGESTIMATE RELATED COMPOUND A (25 MG) (LEVONORGESTREL ACETATE)
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260621 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS13732-69-9
- Purity/Analytical Methods: >99.0%
13732-69-9 / [(8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
Basic Information
CAS
13732-69-9
Multi CAS
No
Molecular Formula
C23H30O3
Molecular Weight
354.500000
Exact Mass
354.219495
SMILES
CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)OC(=O)C)CCC4=CC(=O)CC[C@H]34
InChI
InChI=1S/C23H30O3/c1-4-22-12-10-19-18-9-7-17(25)14-16(18)6-8-20(19)21(22)11-13-23(22,5-2)26-15(3)24/h2,14,18-21H,4,6-13H2,1,3H3/t18-,19+,20+,21-,22-,23-/m0/s1
InChIKey
YDQDJLTYVZAOQX-GOMYTPFNSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Fraction Csp3
0.74
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
100.04
TPSA
43.37
LogP / Solubility
WLOGP
4.45
MLOGP
3.94
XLogP3
3.9
Consensus LogP
4.1
Log S (ESOL)
-4.71
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.68
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.9
Class (SILICOS-IT)
Slightly soluble
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)
-1.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6
Safety & Transport
Pictogram(s)
Irritant
Health Hazard
Environmental Hazard
Signal
Danger
GHS Hazard Statements
H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]
H317 (66.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]
H332 (66.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]
H351 (33.3%): Suspected of causing cancer [Warning Carcinogenicity]
Precautionary Statement Codes
P203, P260, P261, P263, P264, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P317, P318, P319, P321, P330, P332+P317, P333+P317, P362+P364, P391, P405, and P501
