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 | Shanghai | Inquiry |
74847-35-1 / 4-[(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)amino]-2,6-bis(pyrrolidin-1-ylmethyl)phenol
Basic Information
CAS
74847-35-1
Multi CAS
No
Molecular Formula
C29H32CLN5O2
Molecular Weight
518.000000
Exact Mass
517.224453
InChI
InChI=1S/C29H32ClN5O2/c1-37-26-9-8-24-28(33-26)27(23-7-6-21(30)16-25(23)32-24)31-22-14-19(17-34-10-2-3-11-34)29(36)20(15-22)18-35-12-4-5-13-35/h6-9,14-16,36H,2-5,10-13,17-18H2,1H3,(H,31,32)
InChIKey
DJUFPMUQJKWIJB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
20
Fraction Csp3
0.38
Rotatable bonds
7
H-bond acceptors
7
H-bond donors
2
Molar refractivity
149.02
TPSA
73.75
LogP / Solubility
WLOGP
6.09
MLOGP
5.39
XLogP3
5.3
Consensus LogP
5.59
Log S (ESOL)
-6.82
Class (ESOL)
Insoluble
Log S (Ali)
-8.2
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.92
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.56
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5
Customers Also Viewed
-
1-(4-Methoxyphenyl)-4-(4-nitrophenyl)piperazine
- CAS RN: 74852-61-2
- Product Code: SSC-184301
-
-
2,4-dihydro-4-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-3H-1,2,4-triazol-3-one
- CAS RN: 74853-07-9
- Product Code: SSC-184304
-
1-(4-Aminophenyl)-4-(4-hydroxyphenyl)piperazine
- CAS RN: 74853-08-0
- Product Code: SSC-184305
-
4-(TRIFLUOROMETHYL)-ALPHA,ALPHA,ALPHA-TRIFLUOROACETOPHENONE
- CAS RN: 74853-66-0
- Product Code: SSC-184306
-
1,1′-Trimethylenedi-theobromine
- CAS RN: 74857-22-0
- Product Code: starshine_CAS74857-22-0
- Purity/Analytical method: >99.0%
![CAS 74853-07-9 2,4-dihydro-4-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-3H-1,2,4-triazol-3-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/74853-07-9.gif)
