![CAS 361576-61-6 2-[(tert-butoxycarbonyl)amino]-3-(5-chloro-1H-indol-3-yl)propanoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/361576-61-6(2).gif)
CAS RN: 361576-61-6
2-[(tert-butoxycarbonyl)amino]-3-(5-chloro-1H-indol-3-yl)propanoic acid
- Product code: SSC-143315
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g
- Available purity: >97%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
361576-61-6 / 3-(5-chloro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Basic Information
CAS
361576-61-6
Multi CAS
No
Molecular Formula
C16H19CLN2O4
Molecular Weight
338.780000
Exact Mass
338.103335
InChI
InChI=1S/C16H19ClN2O4/c1-16(2,3)23-15(22)19-13(14(20)21)6-9-8-18-12-5-4-10(17)7-11(9)12/h4-5,7-8,13,18H,6H2,1-3H3,(H,19,22)(H,20,21)
InChIKey
PZZXAZAYKCNQAL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
9
Fraction Csp3
0.38
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
3
Molar refractivity
87.81
TPSA
91.42
LogP / Solubility
WLOGP
3.34
MLOGP
2.96
XLogP3
2.6
Consensus LogP
2.97
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.75
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.12
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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![CAS 362003-83-6 N-[2-(Benzoylamino)-6-benzothiazolyl]tricyclo[3.3.1.13,7]decane-1-carboxamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/362003-83-6(2).gif)
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