CAS RN: 1384441-97-7
2-(1-(((tert-Butoxycarbonyl)amino)methyl)cyclobutyl)acetic acid
- Product code: SSC-048454
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: 0.05g, 0.1g, 0.25g, 1g
- Available purity: ≥97%
- 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.
1384441-97-7 / 2-[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclobutyl]acetic acid
Basic Information
CAS
1384441-97-7
Multi CAS
No
Molecular Formula
C12H21NO4
Molecular Weight
243.300000
Exact Mass
243.147058
SMILES
CC(C)(C)OC(=O)NCC1(CCC1)CC(=O)O
InChI
InChI=1S/C12H21NO4/c1-11(2,3)17-10(16)13-8-12(5-4-6-12)7-9(14)15/h4-8H2,1-3H3,(H,13,16)(H,14,15)
InChIKey
KOFPSMGBISOSHU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.83
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
62.77
TPSA
75.63
LogP / Solubility
WLOGP
2.16
MLOGP
1.9
XLogP3
1.6
Consensus LogP
1.89
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.51
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 1384535-76-5 (3aS,7aS)-2-(((2R,4R)-4-(((3aS,7aS)-1,3-diphenyloctahydro-2H-isophosphindol-2-yl)oxy)pentan-2-yl)oxy)-1,3-diphenyloctahydro-1H-benzo[d][1,3,2]diazaphosphole molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
(3aS,7aS)-2-(((2R,4R)-4-(((3aS,7aS)-1,3-diphenyloctahydro-2H-isophosphindol-2-yl)oxy)pentan-2-yl)oxy)-1,3-diphenyloctahydro-1H-benzo[d][1,3,2]diazaphosphole
- CAS RN: 1384535-76-5
- Product Code: starshine_CAS1384535-76-5
- Purity/Analytical method: >99.0%
-
1H-1,3,2-Benzodiazaphosphole, 2,2′-[[(1S,3S)-1,3-dimethyl-1,3-propanediyl]bis(oxy)]bis[octahydro-1,3-diphenyl-, (3aS,3’aS,7aS,7’aS)-
- CAS RN: 1384619-23-1
- Product Code: SSC-048464
-
1,2-Azetidinedicarboxylic acid, 2-methyl-, 1-(9H-fluoren-9-ylmethyl) ester, (2S)-
- CAS RN: 1384745-40-7
- Product Code: SSC-048470
-
methyl (2S)-1-benzyl-2-methylazetidine-2-carboxylate
- CAS RN: 1384745-48-5
- Product Code: SSC-048471
-
2-Amino-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
- CAS RN: 1384855-33-7
- Product Code: SSC-048479
-
cis-3-Hydroxy-3-Methylcyclobutanecarboxylic acid
- CAS RN: 1384855-41-7
- Product Code: SSC-048480
![CAS 1384535-76-5 (3aS,7aS)-2-(((2R,4R)-4-(((3aS,7aS)-1,3-diphenyloctahydro-2H-isophosphindol-2-yl)oxy)pentan-2-yl)oxy)-1,3-diphenyloctahydro-1H-benzo[d][1,3,2]diazaphosphole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1384535-76-5.gif)
![CAS 1384619-23-1 1H-1,3,2-Benzodiazaphosphole, 2,2′-[[(1S,3S)-1,3-dimethyl-1,3-propanediyl]bis(oxy)]bis[octahydro-1,3-diphenyl-, (3aS,3’aS,7aS,7’aS)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1384619-23-1.gif)
