CAS RN: 204398-90-3
DriMentine A
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.20250422 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS204398-90-3
- Purity/Analytical Methods: >99.0%
204398-90-3 / (1S,4S,7S,9S)-9-[[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-4-(2-methylpropyl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
Basic Information
CAS
204398-90-3
Multi CAS
No
Molecular Formula
C32H45N3O2
Molecular Weight
503.700000
Exact Mass
503.351178
SMILES
CC(C)C[C@H]1C(=O)N2[C@@H](C[C@@]3([C@H]2NC4=CC=CC=C43)C[C@H]5C(=C)CC[C@@H]6[C@@]5(CCCC6(C)C)C)C(=O)N1
InChI
InChI=1S/C32H45N3O2/c1-19(2)16-24-28(37)35-25(27(36)33-24)18-32(21-10-7-8-11-23(21)34-29(32)35)17-22-20(3)12-13-26-30(4,5)14-9-15-31(22,26)6/h7-8,10-11,19,22,24-26,29,34H,3,9,12-18H2,1-2,4-6H3,(H,33,36)/t22-,24-,25-,26-,29-,31+,32-/m0/s1
InChIKey
DXEZZWASEJCIRP-ANXNZIBUSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
6
Fraction Csp3
0.69
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
147.88
TPSA
61.44
LogP / Solubility
WLOGP
6.01
MLOGP
5.33
XLogP3
7.4
Consensus LogP
6.25
Log S (ESOL)
-6.61
Class (ESOL)
Insoluble
Log S (Ali)
-8.03
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.4
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.53
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
9
Customers Also Viewed
-
DriMentine B
- CAS RN: 204398-91-4
- Product Code: starshine_CAS204398-91-4
- Purity/Analytical method: >99.0%
-
DriMentine C
- CAS RN: 204398-92-5
- Product Code: starshine_CAS204398-92-5
- Purity/Analytical method: >99.0%
-
4,4′-Dimethoxy-4”-nitrotriphenylamine
- CAS RN: 20440-91-9
- Product Code: starshine_CAS20440-91-9
- Purity/Analytical method: >99.0%
-
(4-Nitrophenyl)-di-p-tolylamine
- CAS RN: 20440-92-0
- Product Code: starshine_CAS20440-92-0
- Purity/Analytical method: >99.0%
-
4-Methoxy-N-(4-methoxyphenyl)-N-phenylbenzenamine
- CAS RN: 20440-94-2
- Product Code: SSC-096170
-
