CAS RN: 2101765-81-3
“DRI-C21045(DRI C21045)”
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.20260330 | 10mg / 50mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2101765-81-3
- Purity/Analytical Methods: >99.0%
2101765-81-3 / 8-[[4-[4-[(4-methoxycarbonylbenzoyl)amino]phenyl]benzoyl]amino]naphthalene-1-sulfonic acid
Basic Information
CAS
2101765-81-3
Multi CAS
No
Molecular Formula
C32H24N2O7S
Molecular Weight
580.600000
Exact Mass
580.130422
SMILES
COC(=O)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)NC4=CC=CC5=C4C(=CC=C5)S(=O)(=O)O
InChI
InChI=1S/C32H24N2O7S/c1-41-32(37)25-14-12-23(13-15-25)30(35)33-26-18-16-21(17-19-26)20-8-10-24(11-9-20)31(36)34-27-6-2-4-22-5-3-7-28(29(22)27)42(38,39)40/h2-19H,1H3,(H,33,35)(H,34,36)(H,38,39,40)
InChIKey
BZAWLSZPOBGURT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
42
Aromatic heavy atom count
28
Fraction Csp3
0.03
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
3
Molar refractivity
159.33
TPSA
138.87
LogP / Solubility
WLOGP
6.04
MLOGP
5.37
XLogP3
5.1
Consensus LogP
5.5
Log S (ESOL)
-7.28
Class (ESOL)
Insoluble
Log S (Ali)
-8.69
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.29
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.97
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
Customers Also Viewed
-
Methyl (3R,4R)-4-methylpyrrolidine-3-carboxylate hydrochloride
- CAS RN: 2101775-05-5
- Product Code: SSC-099971
-
methyl exo-9-azabicyclo[3.3.1]nonane-3-carboxylate hydrochloride
- CAS RN: 2101775-07-7
- Product Code: SSC-099972
-
[(3R,4R)-4-(trifluoromethyl)pyrrolidin-3-yl]methanol hydrochloride
- CAS RN: 2101775-10-2
- Product Code: SSC-099974
-
-
6-Formyl-1,2,9,10-tetramethoxy-6a,7-dehydroaporphine
- CAS RN: 2101836-45-5
- Product Code: starshine_CAS2101836-45-5
- Purity/Analytical method: >99.0%
-
1,7-Naphthyridine, 8-chloro-3-ethenyl-
- CAS RN: 2101842-28-6
- Product Code: starshine_CAS2101842-28-6
- Purity/Analytical method: >99.0%
![CAS 2101775-07-7 methyl exo-9-azabicyclo[3.3.1]nonane-3-carboxylate hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2101775-07-7.png)
![CAS 2101775-10-2 [(3R,4R)-4-(trifluoromethyl)pyrrolidin-3-yl]methanol hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2101775-10-2.png)
