CAS RN: 2136287-59-5
Methyl 3-(benzyloxy)-1-((tert-butoxycarbonyl)amino)-4-oxo-1,4-dihydropyridine-2-carboxylate
- Product code: SSC-102010
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: 1g, 5g, 25g, 10g, 100g
- Available purity: >95%
- Inventory rows with stock: 10
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | -- | 3 In Stock | Hong Kong | Inquiry |
| 1g | >95% | 3 In Stock | Shenzhen | Inquiry |
| 5g | -- | 3 In Stock | Hong Kong | Inquiry |
| 5g | >95% | 3 In Stock | Shanghai | Inquiry |
| 25g | -- | 3 In Stock | Shanghai | Inquiry |
| 25g | >95% | 3 In Stock | Shenzhen | Inquiry |
| 10g | -- | 2 In Stock | Shenzhen | Inquiry |
| 10g | >95% | 2 In Stock | Beijing | Inquiry |
| 100g | -- | 2 In Stock | Beijing | Inquiry |
| 100g | >95% | 2 In Stock | Shenzhen | Inquiry |
2136287-59-5 / methyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-3-phenylmethoxypyridine-2-carboxylate
Basic Information
CAS
2136287-59-5
Multi CAS
No
Molecular Formula
C19H22N2O6
Molecular Weight
374.400000
Exact Mass
374.147786
SMILES
CC(C)(C)OC(=O)NN1C=CC(=O)C(=C1C(=O)OC)OCC2=CC=CC=C2
InChI
InChI=1S/C19H22N2O6/c1-19(2,3)27-18(24)20-21-11-10-14(22)16(15(21)17(23)25-4)26-12-13-8-6-5-7-9-13/h5-11H,12H2,1-4H3,(H,20,24)
InChIKey
BZFFGGJUFFRTON-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
1
Molar refractivity
98.41
TPSA
95.86
LogP / Solubility
WLOGP
2.69
MLOGP
2.39
XLogP3
3.5
Consensus LogP
2.86
Log S (ESOL)
-3.86
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.93
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
Yes
Log Kp (skin permeation)
-3.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
![CAS 2136287-62-0 “7-(benzyloxy)-3,4,12,12a-tetrahydro-1H-[1,4]oxazino[3,4-c]pyrido[2,1-f][1,2,4]triazine-6,8-dione, hemihydrate” molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
“7-(benzyloxy)-3,4,12,12a-tetrahydro-1H-[1,4]oxazino[3,4-c]pyrido[2,1-f][1,2,4]triazine-6,8-dione, hemihydrate”
- CAS RN: 2136287-62-0
- Product Code: starshine_CAS2136287-62-0
- Purity/Analytical method: >99.0%
-
3,4-difluoro-2-((phenylthio)methyl)benzoic acid
- CAS RN: 2136287-65-3
- Product Code: SSC-102011
-
(12aR)-7-(hexyloxy)-3,4,12,12a-tetrahydro-1H-[1,4]Oxazino[3,4-c]pyrido[2,1-f][1,2,4]triazine-6,8-dione
- CAS RN: 2136287-67-5
- Product Code: SSC-102012
-
Maleimide-NH-PEG12-CH2CH2COOPFP Ester
- CAS RN: 2136296-33-6
- Product Code: starshine_CAS2136296-33-6
- Purity/Analytical method: >99.0%
-
(R)-1-((benzyloxy)carbonyl)-4,4-difluoropyrrolidine-2-carboxylic acid
- CAS RN: 2136867-31-5
- Product Code: starshine_CAS2136867-31-5
- Purity/Analytical method: >99.0%
-
(S)-1-(tert-butoxycarbonyl)-2-(hydroxymethyl)pyrrolidine-2-carboxylic acid
- CAS RN: 2136895-52-6
- Product Code: SSC-102031
![CAS 2136287-62-0 “7-(benzyloxy)-3,4,12,12a-tetrahydro-1H-[1,4]oxazino[3,4-c]pyrido[2,1-f][1,2,4]triazine-6,8-dione, hemihydrate” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2136287-62-0.png)
![CAS 2136287-67-5 (12aR)-7-(hexyloxy)-3,4,12,12a-tetrahydro-1H-[1,4]Oxazino[3,4-c]pyrido[2,1-f][1,2,4]triazine-6,8-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2136287-67-5.png)
