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 | Beijing | Inquiry |
1638587-36-6 / (2R,3S)-3-methylhex-5-ene-2-sulfonamide
Basic Information
CAS
1638587-36-6
Multi CAS
No
Molecular Formula
C7H15NO2S
Molecular Weight
177.270000
Exact Mass
177.082350
SMILES
C[C@@H](CC=C)[C@@H](C)S(=O)(=O)N
InChI
InChI=1S/C7H15NO2S/c1-4-5-6(2)7(3)11(8,9)10/h4,6-7H,1,5H2,2-3H3,(H2,8,9,10)/t6-,7+/m0/s1
InChIKey
OCSITWXGPHLSLB-NKWVEPMBSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.71
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.55
TPSA
60.16
LogP / Solubility
WLOGP
0.88
MLOGP
0.77
XLogP3
1.3
Consensus LogP
0.98
Log S (ESOL)
-1.23
Class (ESOL)
Soluble
Log S (Ali)
-1.65
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.02
Class (SILICOS-IT)
Moderately 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)
-3.18
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
2.5
Customers Also Viewed
-
2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)phenol
- CAS RN: 1638624-76-6
- Product Code: SSC-071244
-
6-Chloro-10,11,14,17-tetrahydro-13H-1,16-etheno-4,8-metheno-1H-pyrazolo[3,4-g][1,14,4,6]dioxadiazacyclohexadecine hydrochloride
- CAS RN: 1638644-62-8
- Product Code: starshine_CAS1638644-62-8
- Purity/Analytical method: >99.0%
-
METHYL (3R)-5-BROMO-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLATE HCL
- CAS RN: 1638668-14-0
- Product Code: SSC-071251
-
(R)-5-bromo-1,2,3,4-tetrahydroisoquinoline-3-carboxylicacid
- CAS RN: 1638668-15-1
- Product Code: SSC-071252
-
exo-7-(Boc-aMino)-3-oxa-9-aza-bicyclo[3.3.1]nonane
- CAS RN: 1638683-57-4
- Product Code: SSC-071254
-
Benzonitrile, 4,4′-(5,10-phenazinediyl)bis-
- CAS RN: 1638702-80-3
- Product Code: starshine_CAS1638702-80-3
- Purity/Analytical method: >99.0%
![CAS 1638644-62-8 6-Chloro-10,11,14,17-tetrahydro-13H-1,16-etheno-4,8-metheno-1H-pyrazolo[3,4-g][1,14,4,6]dioxadiazacyclohexadecine hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1638644-62-8.gif)
![CAS 1638683-57-4 exo-7-(Boc-aMino)-3-oxa-9-aza-bicyclo[3.3.1]nonane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB72704691.gif)
