![CAS 910110-45-1 (2S)-N-[(1S)-1-(Hydroxydiphenylmethyl)-3-methylbutyl]-2-pyrrolidinecarboxamide molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/h1407-jpgcontextbwfzdgvyfhjvb3r8ndexmdn8aw1hz2uvanblz3xomwqvagm1lzg5mza5otmzmdc2nzgvsde0mdcuanbnfgnkzjkzyjc5mwe0zwzjngqzzti3nmjhytk2zjewzwu1nzdlmtuzmzexngm1yzyxmjaynmiymjhlm2rhy2q4mgm.jpeg)
CAS RN: 910110-45-1
(2S)-N-[(1S)-1-(Hydroxydiphenylmethyl)-3-methylbutyl]-2-pyrrolidinecarboxamide
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: SSC-203802
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: 0.25g, 1g
- 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.
910110-45-1 / (2S)-N-[(2S)-1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl]pyrrolidine-2-carboxamide
Basic Information
CAS
910110-45-1
Multi CAS
Yes
Molecular Formula
C23H30N2O2
Molecular Weight
366.500000
Exact Mass
366.230728
InChI
InChI=1S/C23H30N2O2/c1-17(2)16-21(25-22(26)20-14-9-15-24-20)23(27,18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,17,20-21,24,27H,9,14-16H2,1-2H3,(H,25,26)/t20-,21-/m0/s1
InChIKey
PWBULUUPVDXEQS-SFTDATJTSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.43
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
3
Molar refractivity
108.29
TPSA
61.36
LogP / Solubility
WLOGP
3.21
MLOGP
2.84
XLogP3
3.7
Consensus LogP
3.25
Log S (ESOL)
-4
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.88
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.54
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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![CAS 110529-22-1 (S)-(+)-2-[Hydroxy(diphenyl)methyl]-1-methylpyrrolidine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/h0768-jpgcontextbwfzdgvyfhjvb3r8ndeynjn8aw1hz2uvanblz3xoytivadbklzg5mza4otq1ndq5mjyvsda3njguanbnfdblyjhkmgmyztawyzc3mmrmmtnlzwm3mdrlztg5yzewyzzjm2nkmwi2owi0zgrkzmfjodk1mwqzmtgyzgu3mze.jpeg)
