CAS RN: 61032-42-6
Methyl 2-amino-4-benzyloxy-5-methoxybenzoate
- Product code: SSC-169789
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 |
61032-42-6 / methyl 2-amino-5-methoxy-4-phenylmethoxybenzoate
Basic Information
CAS
61032-42-6
Multi CAS
No
Molecular Formula
C16H17NO4
Molecular Weight
287.310000
Exact Mass
287.115758
InChI
InChI=1S/C16H17NO4/c1-19-14-8-12(16(18)20-2)13(17)9-15(14)21-10-11-6-4-3-5-7-11/h3-9H,10,17H2,1-2H3
InChIKey
CKHQUPXMMAOBTC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.19
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
79.52
TPSA
70.78
LogP / Solubility
WLOGP
2.64
MLOGP
2.34
XLogP3
3.1
Consensus LogP
2.69
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.32
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)
-2.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
Customers Also Viewed
-
1H-IMidazole, 4,5-dihydro-2-(2-cholrophenyl)-
- CAS RN: 61033-69-0
- Product Code: SSC-169790
-
BenzenaMine, 4-(4,5-dihydro-1H-iMidazol-2-yl)-
- CAS RN: 61033-71-4
- Product Code: SSC-169791
-
4-(4,5-Dihydro-1H-imidazol-2-yl)aniline hydrochloride
- CAS RN: 61033-86-1
- Product Code: starshine_CAS61033-86-1
- Purity/Analytical method: >99.0%
-
-
L-Alanine, N-[(1,1-diMethylethoxy)carbonyl]-3-[[(phenylMethoxy)carbonyl]aMino]-, Methyl ester
- CAS RN: 61040-22-0
- Product Code: SSC-169801
-
![CAS 61034-86-4 [2-(1H-PYRROL-1-YL)PHENYL]METHANOL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/61034-86-4.gif)
![CAS 61040-22-0 L-Alanine, N-[(1,1-diMethylethoxy)carbonyl]-3-[[(phenylMethoxy)carbonyl]aMino]-, Methyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/61040-22-0.gif)
