CAS RN: 229625-50-7
Di-tert-butyl Chloromethyl Phosphate
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-111640
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, 10g, 25g, 100g, 500g, 1000g
- Available purity: ≥97%
- Inventory rows with stock: 7
- 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 | ≥97% | 5 In Stock | Hong Kong | Inquiry |
| 5g | ≥97% | 5 In Stock | Shenzhen | Inquiry |
| 10g | ≥97% | 5 In Stock | Shanghai | Inquiry |
| 25g | ≥97% | 5 In Stock | Shanghai | Inquiry |
| 100g | ≥97% | 5 In Stock | Beijing | Inquiry |
| 500g | ≥97% | 5 In Stock | Hong Kong | Inquiry |
| 1000g | ≥97% | 5 In Stock | Shenzhen | Inquiry |
229625-50-7 / ditert-butyl chloromethyl phosphate
Basic Information
CAS
229625-50-7
Multi CAS
No
Molecular Formula
C9H20ClO4P
Molecular Weight
258.680000
Exact Mass
258.078774
SMILES
CC(C)(C)OP(=O)(OCCl)OC(C)(C)C
InChI
InChI=1S/C9H20ClO4P/c1-8(2,3)13-15(11,12-7-10)14-9(4,5)6/h7H2,1-6H3
InChIKey
LNJAJHJFSKUCIR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
61.09
TPSA
44.76
LogP / Solubility
WLOGP
3.94
MLOGP
3.47
XLogP3
2.2
Consensus LogP
3.2
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.52
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.09
Class (SILICOS-IT)
Slightly 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)
-1.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
Diisopropyl Phosphorochloridate
- CAS RN: 2574-25-6
- Product Code: ICTD5206
- Purity/Analytical method: >98.0%(GC)(T)
-
-
Methyl Dichlorophosphite [Phosphitylating Agent]
- CAS RN: 3279-26-3
- Product Code: SSC-138476
-
-
![CAS 3279-26-3 Methyl Dichlorophosphite [Phosphitylating Agent] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/m0905-jpgcontextbwfzdgvyfhjvb3r8mte2mjn8aw1hz2uvanblz3xozmivagjjlzkzmjg3mju3ntm4odyvtta5mduuanbnfdlmodg0ntjjody0nduymtu3zwnmythiytjjzdi5owyxywm4mgu1nwvjzjyyymyymtvhmdc2ymfmnweyzdnmogi.jpeg)
