![CAS 313682-08-5 [(1R,5S,6R)-2,8-dioxabicyclo[3.3.0]oct-6-yl] N-[(2S,3R)-4-(benzo[1,3]dioxol-5-ylsulfonyl-(2-methylpropyl)amino)-3-hydroxy-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-yl]carbamate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/313682-08-5.gif)
CAS RN: 313682-08-5
[(1R,5S,6R)-2,8-dioxabicyclo[3.3.0]oct-6-yl] N-[(2S,3R)-4-(benzo[1,3]dioxol-5-ylsulfonyl-(2-methylpropyl)amino)-3-hydroxy-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-yl]carbamate
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.20260604 | 1mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS313682-08-5
- Purity/Analytical Methods: >99.0%
313682-08-5 / [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-yl]carbamate
Basic Information
CAS
313682-08-5
Multi CAS
Yes
Molecular Formula
C33H41N3O10S2
Molecular Weight
703.800000
Exact Mass
703.223337
InChI
InChI=1S/C33H41N3O10S2/c1-20(2)14-36(48(39,40)25-8-9-29-30(13-25)45-19-44-29)15-28(37)27(35-33(38)46-31-17-43-32-26(31)10-11-41-32)12-22-4-6-24(7-5-22)42-16-23-18-47-21(3)34-23/h4-9,13,18,20,26-28,31-32,37H,10-12,14-17,19H2,1-3H3,(H,35,38)/t26-,27-,28+,31-,32+/m0/s1
InChIKey
JORVRJNILJXMMG-OLNQLETPSA-N
Computed Properties
Structural Parameters
Heavy atom count
48
Aromatic heavy atom count
17
Fraction Csp3
0.52
Rotatable bonds
14
H-bond acceptors
12
H-bond donors
2
Molar refractivity
174.49
TPSA
154.98
LogP / Solubility
WLOGP
3.87
MLOGP
3.46
XLogP3
4.4
Consensus LogP
3.91
Log S (ESOL)
-5.98
Class (ESOL)
Slightly soluble
Log S (Ali)
-8.12
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.12
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.27
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
8
Customers Also Viewed
-
1,3-Cyclohexanedicarboxylicacid,5-amino-(9CI)
- CAS RN: 313683-55-5
- Product Code: SSC-136731
-
-
N-[(1S,2S)-2-aMino-1,2-diphenylethyl]-N’-[(1R)-1-(1-naphthalenyl)ethyl]-Thiourea
- CAS RN: 313695-70-4
- Product Code: starshine_CAS313695-70-4
- Purity/Analytical method: >99.0%
-
3-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methylbenzoic acid
- CAS RN: 313701-78-9
- Product Code: starshine_CAS313701-78-9
- Purity/Analytical method: >99.0%
-
5-(2,5-DIMETHYL-PYRROL-1-YL)-2-HYDROXY-BENZOIC ACID
- CAS RN: 313701-92-7
- Product Code: starshine_CAS313701-92-7
- Purity/Analytical method: >99.0%
-
(S)-1-Benzyl 3-Methyl pyrrolidine-1,3-dicarboxylate
- CAS RN: 313706-14-8
- Product Code: SSC-136736
![CAS 313695-70-4 N-[(1S,2S)-2-aMino-1,2-diphenylethyl]-N’-[(1R)-1-(1-naphthalenyl)ethyl]-Thiourea molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/313695-70-4.gif)
.gif)
