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: 5g
- Available purity: ＞97%
- 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 |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
32407-11-7 / 3,5-dichloro-4-methoxyaniline
Basic Information
CAS
32407-11-7
Multi CAS
Yes
Molecular Formula
C7H7CL2NO
Molecular Weight
192.040000
Exact Mass
190.990469
InChI
InChI=1S/C7H7Cl2NO/c1-11-7-5(8)2-4(10)3-6(7)9/h2-3H,10H2,1H3
InChIKey
GNFMBCBDTFAEHM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.43
TPSA
35.25
LogP / Solubility
WLOGP
2.58
MLOGP
2.27
XLogP3
2.7
Consensus LogP
2.52
Log S (ESOL)
-3
Class (ESOL)
Moderately soluble
Log S (Ali)
-3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.17
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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3-AMINO-TETRAHYDRO-THIOPHENE-3-CARBOXYLIC ACID
- CAS RN: 32418-99-8
- Product Code: starshine_CAS32418-99-8
- Purity/Analytical method: >99.0%
