![CAS 916141-36-1 N-[1,1′-Biphenyl]-2-yl-1-[2-[(1-methyl-1H-benzimidazol-2-yl)thio]acetyl-2-pyrrolidinedicarboxamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/916141-36-1.gif)
CAS RN: 916141-36-1
N-[1,1′-Biphenyl]-2-yl-1-[2-[(1-methyl-1H-benzimidazol-2-yl)thio]acetyl-2-pyrrolidinedicarboxamide
- Product code: SSC-204909
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
916141-36-1 / (2S)-1-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]-N-(2-phenylphenyl)pyrrolidine-2-carboxamide
Basic Information
CAS
916141-36-1
Multi CAS
Yes
Molecular Formula
C27H26N4O2S
Molecular Weight
470.600000
Exact Mass
470.177647
InChI
InChI=1S/C27H26N4O2S/c1-30-23-15-8-7-14-22(23)29-27(30)34-18-25(32)31-17-9-16-24(31)26(33)28-21-13-6-5-12-20(21)19-10-3-2-4-11-19/h2-8,10-15,24H,9,16-18H2,1H3,(H,28,33)/t24-/m0/s1
InChIKey
YSBGRVXJEMSEQY-DEOSSOPVSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
21
Fraction Csp3
0.22
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
1
Molar refractivity
136.68
TPSA
67.23
LogP / Solubility
WLOGP
4.96
MLOGP
4.4
XLogP3
4.9
Consensus LogP
4.75
Log S (ESOL)
-5.94
Class (ESOL)
Slightly soluble
Log S (Ali)
-7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.56
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
Customers Also Viewed
-
tert-Butyl 2-(1-hydroxyethyl)pyrrolidine-1-carboxylate
- CAS RN: 916145-68-1
- Product Code: SSC-204910
-
-
Benzaldehyde, 3,5-difluoro-4-(trifluoromethoxy)-
- CAS RN: 916155-26-5
- Product Code: starshine_CAS916155-26-5
- Purity/Analytical method: >99.0%
-
8-(cyclopropylmethyl)-1,4-Dioxaspiro[4.5]decane-8-carbonitrile
- CAS RN: 916159-85-8
- Product Code: starshine_CAS916159-85-8
- Purity/Analytical method: >99.0%
-
-
![CAS 916159-85-8 8-(cyclopropylmethyl)-1,4-Dioxaspiro[4.5]decane-8-carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/916159-85-8.gif)
