CAS RN: 896745-35-0
1,3-Dibromo-5-butoxybenzene
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251026 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS896745-35-0
- Purity/Analytical Methods: >99.0%
896745-35-0 / 1,3-dibromo-5-butoxybenzene
Basic Information
CAS
896745-35-0
Multi CAS
No
Molecular Formula
C10H12BR2O
Molecular Weight
308.010000
Exact Mass
307.923440
InChI
InChI=1S/C10H12Br2O/c1-2-3-4-13-10-6-8(11)5-9(12)7-10/h5-7H,2-4H2,1H3
InChIKey
UIJOUNUFUONLQL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
62.25
TPSA
9.23
LogP / Solubility
WLOGP
4.39
MLOGP
3.88
XLogP3
4.5
Consensus LogP
4.26
Log S (ESOL)
-4.59
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.79
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.48
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
-
CM037
- CAS RN: 896795-60-1
- Product Code: starshine_CAS896795-60-1
- Purity/Analytical method: >99.0%
-
-
4-(4-broMo-3-fluorobenzyl)Morpholine
- CAS RN: 897016-96-5
- Product Code: starshine_CAS897016-96-5
- Purity/Analytical method: >99.0%
-
4-(3-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)morpholine
- CAS RN: 897016-97-6
- Product Code: SSC-201750
-
3-PROPOXY-AZETIDINE HYDROCHLORIDE
- CAS RN: 897019-55-5
- Product Code: starshine_CAS897019-55-5
- Purity/Analytical method: >99.0%
-
