CAS RN: 719310-30-2
(5-Bromo-2-hydroxyphenyl)carbamic acid tert-butyl ester
- Product code: SSC-181465
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 | Hong Kong | Inquiry |
719310-30-2 / tert-butyl N-(5-bromo-2-hydroxyphenyl)carbamate
Basic Information
CAS
719310-30-2
Multi CAS
No
Molecular Formula
BC11H14O3Rn
Molecular Weight
288.140000
Exact Mass
287.015710
InChI
InChI=1S/C11H14BrNO3/c1-11(2,3)16-10(15)13-8-6-7(12)4-5-9(8)14/h4-6,14H,1-3H3,(H,13,15)
InChIKey
VHYZXADBMOZCLV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
65.66
TPSA
58.56
LogP / Solubility
WLOGP
3.5
MLOGP
3.09
XLogP3
2.8
Consensus LogP
3.13
Log S (ESOL)
-4.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.56
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.99
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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