![CAS 772-79-2 4-Chlorophenyl Phosphorodichloridate [Phosphorylating Agent] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/c0977-jpgcontextbwfzdgvyfhjvb3r8mzixmdj8aw1hz2uvanblz3xoyjgvadmzlzg5mjkznti1ndgzodivqza5nzcuanbnfdezmte1zmewnjkzzjbkmta5ntlhztu5n2m5ywuwnwqxngmxnguwzjnmzmi5yzjhnmjindcxzmy2ztliyzc2mje.jpeg)
CAS RN: 772-79-2
4-Chlorophenyl Phosphorodichloridate [Phosphorylating Agent]
- Product code: SSC-186692
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: 25g
- 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 |
|---|---|---|---|---|
| 25g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
772-79-2 / 1-chloro-4-dichlorophosphoryloxybenzene
Basic Information
CAS
772-79-2
Multi CAS
Yes
Molecular Formula
C6H4CL3O2P
Molecular Weight
245.400000
Exact Mass
243.901449
InChI
InChI=1S/C6H4Cl3O2P/c7-5-1-3-6(4-2-5)11-12(8,9)10/h1-4H
InChIKey
CCZMQYGSXWZFKI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
51.39
TPSA
26.3
LogP / Solubility
WLOGP
4.3
MLOGP
3.79
XLogP3
3.4
Consensus LogP
3.83
Log S (ESOL)
-4.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.68
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.07
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)
-1.16
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
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2-Chlorophenyl Phosphorodichloridate [Phosphorylating Agent]
- CAS RN: 15074-54-1
- Product Code: SSC-060668
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- CAS RN: 3279-26-3
- Product Code: SSC-138476
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