CAS RN: 154361-50-9
Capecitabine
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250623 | 100g | In stock | Shanghai, Hebei | Inquiry | |
| Batchno.20250829 | 25g | In stock | Shanghai, Shandong, Guangdong | Inquiry | |
| Batchno.20250618 | 500g | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20251119 | 5g | In stock | Shanghai, Shandong, Chongqing, Hebei | Inquiry |
- Product code: SSC-063707
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: 5g, 25g, 10g
- Available purity: >97%
- Inventory rows with stock: 2
- 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.
154361-50-9 / pentyl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate
Basic Information
CAS
154361-50-9
Multi CAS
No
Molecular Formula
C15H22FN3O6
Molecular Weight
359.350000
Exact Mass
359.149264
SMILES
CCCCCOC(=O)NC1=NC(=O)N(C=C1F)[C@H]2[C@@H]([C@@H]([C@H](O2)C)O)O
InChI
InChI=1S/C15H22FN3O6/c1-3-4-5-6-24-15(23)18-12-9(16)7-19(14(22)17-12)13-11(21)10(20)8(2)25-13/h7-8,10-11,13,20-21H,3-6H2,1-2H3,(H,17,18,22,23)/t8-,10-,11-,13-/m1/s1
InChIKey
GAGWJHPBXLXJQN-UORFTKCHSA-N
Physical Properties
Melting Point
110-121 °C
110 - 121 °C
Physical Description
Solid
Appearance
White to off-white crystalline powder
Crystals from ethyl acetate
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
6
H-bond acceptors
8
H-bond donors
3
Molar refractivity
84.55
TPSA
122.91
LogP / Solubility
WLOGP
0.76
MLOGP
0.69
XLogP3
0.6
Consensus LogP
0.68
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.35
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
Safety & Transport
Pictogram(s)
Irritant
Health Hazard
Signal
Danger
GHS Hazard Statements
H315 (13.7%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (13.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H341 (84.3%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]
H350 (90.2%): May cause cancer [Danger Carcinogenicity]
H360 (96.1%): May damage fertility or the unborn child [Danger Reproductive toxicity]
Precautionary Statement Codes
P203, P264, P264+P265, P280, P302+P352, P305+P351+P338, P318, P321, P332+P317, P337+P317, P362+P364, P405, and P501
