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: 10g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 10g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
41371-14-6 / butyl [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] carbonate
Basic Information
CAS
41371-14-6
Multi CAS
Yes
Molecular Formula
C32H54O3
Molecular Weight
486.800000
Exact Mass
486.407296
InChI
InChI=1S/C32H54O3/c1-7-8-20-34-30(33)35-25-16-18-31(5)24(21-25)12-13-26-28-15-14-27(23(4)11-9-10-22(2)3)32(28,6)19-17-29(26)31/h12,22-23,25-29H,7-11,13-21H2,1-6H3
InChIKey
PHGPOYKRNJWODC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Fraction Csp3
0.91
Rotatable bonds
9
H-bond acceptors
3
Molar refractivity
144.17
TPSA
35.53
LogP / Solubility
WLOGP
9.35
MLOGP
8.26
XLogP3
10.8
Consensus LogP
9.47
Log S (ESOL)
-8.15
Class (ESOL)
Insoluble
Log S (Ali)
-10.3
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.66
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)
0.95
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
7
