CAS RN: 3601-89-6
(2R,3S)-5-Chloro-2-(((4-methylbenzoyl)oxy)methyl)tetrahydrofuran-3-yl 4-methylbenzoate
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250625 | 100g | In stock | Wuhan, Chengdu | Inquiry | |
| Batchno.20251207 | 10g | In stock | Shanghai | Inquiry | |
| Batchno.20250412 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20250207 | 250mg | In stock | Shanghai, Tianjin, Chengdu | Inquiry | |
| Batchno.20260324 | 250mg / 1g / 5g / 10g / 25g / 100g | Confirm by inquiry | Shanghai, Shandong | 5-7 business days | Inquiry |
| Batchno.20260310 | 25g | In stock | Shanghai | Inquiry | |
| Batchno.20260129 | 5g | In stock | Shanghai | Inquiry |
- Product code: SSC-143115
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 | Shenzhen | Inquiry |
3601-89-6 / [(2R,3S)-5-chloro-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate
Basic Information
CAS
3601-89-6
Multi CAS
Yes
Molecular Formula
C21H21CLO5
Molecular Weight
388.800000
Exact Mass
388.107752
InChI
InChI=1S/C21H21ClO5/c1-13-3-7-15(8-4-13)20(23)25-12-18-17(11-19(22)26-18)27-21(24)16-9-5-14(2)6-10-16/h3-10,17-19H,11-12H2,1-2H3/t17-,18+,19?/m0/s1
InChIKey
FJHSYOMVMMNQJQ-PAMZHZACSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
5
H-bond acceptors
5
Molar refractivity
100.98
TPSA
61.83
LogP / Solubility
WLOGP
4.04
MLOGP
3.58
XLogP3
4.9
Consensus LogP
4.17
Log S (ESOL)
-4.79
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.67
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.14
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.22
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
