![CAS 173898-15-2 (R)-4-[1-[[(Phenylmethoxy)carbonyl]amino]ethyl]benzoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/173898-15-2.gif)
CAS RN: 173898-15-2
(R)-4-[1-[[(Phenylmethoxy)carbonyl]amino]ethyl]benzoic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260120 | 50mg / 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-076320
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: 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | >95% | 0 Out of Stock | Beijing | Inquiry |
173898-15-2 / 4-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]benzoic acid
Basic Information
CAS
173898-15-2
Multi CAS
No
Molecular Formula
C17H17NO4
Molecular Weight
299.320000
Exact Mass
299.115758
SMILES
C[C@H](C1=CC=C(C=C1)C(=O)O)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C17H17NO4/c1-12(14-7-9-15(10-8-14)16(19)20)18-17(21)22-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,18,21)(H,19,20)/t12-/m1/s1
InChIKey
XZHNWUGYLBANCU-GFCCVEGCSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.18
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
81.58
TPSA
75.63
LogP / Solubility
WLOGP
3.37
MLOGP
2.98
XLogP3
2.9
Consensus LogP
3.08
Log S (ESOL)
-3.89
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.15
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 173903-15-6 Methyl N-carbonochloridoyl-N-[4-(trifluoromethoxy)phenyl]carbamate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/173903-15-6.gif)
