CAS RN: 2755950-35-5
(S)-2-amino-3-((S)-2-oxopyrrolidin-3-yl)propanenitrile hydrochloride
- Product code: SSC-127129
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: ≥97%
- 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 | ≥97% | 0 Out of Stock | Beijing | Inquiry |
2755950-35-5 / (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanenitrile;hydrochloride
Basic Information
CAS
2755950-35-5
Multi CAS
Yes
Molecular Formula
C7H12CLN3O
Molecular Weight
189.640000
Exact Mass
189.066890
InChI
InChI=1S/C7H11N3O.ClH/c8-4-6(9)3-5-1-2-10-7(5)11;/h5-6H,1-3,9H2,(H,10,11);1H/t5-,6-;/m0./s1
InChIKey
IBSLXCKXTQWTDO-GEMLJDPKSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.71
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
46.57
TPSA
78.91
LogP / Solubility
WLOGP
-0.21
MLOGP
-0.19
XLogP3
-0.21
Consensus LogP
-0.2
Log S (ESOL)
-0.75
Class (ESOL)
Very soluble
Log S (Ali)
-0.96
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.95
Class (SILICOS-IT)
Very 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)
-4.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
![CAS 2756319-96-5 Naphthalene, 2-(2-chloro[1,1′-biphenyl]-4-yl)- molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
Naphthalene, 2-(2-chloro[1,1′-biphenyl]-4-yl)-
- CAS RN: 2756319-96-5
- Product Code: starshine_CAS2756319-96-5
- Purity/Analytical method: >99.0%
-
2-Pyridinecarboxamide, 6-fluoro-5-[4-[(5-fluoro-3,4-dihydro-2-methyl-3-oxo-6-quinoxalinyl)methyl]-1-piperazinyl]-N-methyl-
- CAS RN: 2756333-39-6
- Product Code: SSC-127150
-
2(1H)-Quinoxalinone, 7-(bromomethyl)-8-fluoro-3-methyl-
- CAS RN: 2756333-93-2
- Product Code: SSC-127153
-
2(1H)-Quinoxalinone, 7-bromo-8-fluoro-3,4-dihydro-3-methyl-
- CAS RN: 2756334-24-2
- Product Code: SSC-127155
-
2(1H)-Quinoxalinone, 7-bromo-8-fluoro-3-methyl-
- CAS RN: 2756334-26-4
- Product Code: SSC-127156
-
2(1H)-Quinoxalinone, 8-fluoro-7-(hydroxymethyl)-3-methyl-
- CAS RN: 2756334-27-5
- Product Code: SSC-127157
![CAS 2756319-96-5 Naphthalene, 2-(2-chloro[1,1′-biphenyl]-4-yl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2756319-96-5.gif)
![CAS 2756333-39-6 2-Pyridinecarboxamide, 6-fluoro-5-[4-[(5-fluoro-3,4-dihydro-2-methyl-3-oxo-6-quinoxalinyl)methyl]-1-piperazinyl]-N-methyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2756333-39-6.gif)
