![CAS 600725-25-5 4-[(2-AMino-phenylaMino)-Methyl]-piperidine-1-carboxylic acid tert-butyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/600725-25-5.gif)
CAS RN: 600725-25-5
4-[(2-AMino-phenylaMino)-Methyl]-piperidine-1-carboxylic acid tert-butyl ester
- Product code: SSC-168655
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 | Shenzhen | Inquiry |
600725-25-5 / tert-butyl 4-[(2-aminoanilino)methyl]piperidine-1-carboxylate
Basic Information
CAS
600725-25-5
Multi CAS
No
Molecular Formula
C17H27N3O2
Molecular Weight
305.400000
Exact Mass
305.210327
InChI
InChI=1S/C17H27N3O2/c1-17(2,3)22-16(21)20-10-8-13(9-11-20)12-19-15-7-5-4-6-14(15)18/h4-7,13,19H,8-12,18H2,1-3H3
InChIKey
RZQQGZABRNMVAT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
89.88
TPSA
67.59
LogP / Solubility
WLOGP
3.33
MLOGP
2.94
XLogP3
2.9
Consensus LogP
3.06
Log S (ESOL)
-3.83
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.47
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.77
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
Customers Also Viewed
-
![CAS 600734-02-9 7-[2-(Cyclopropylmethoxy)-6-hydroxyphenyl]-1,4-dihydro-5-(3S)-3-piperidinyl-2H-pyrido[2,3-d][1,3]oxazin-2-one molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
7-[2-(Cyclopropylmethoxy)-6-hydroxyphenyl]-1,4-dihydro-5-(3S)-3-piperidinyl-2H-pyrido[2,3-d][1,3]oxazin-2-one
- CAS RN: 600734-02-9
- Product Code: starshine_CAS600734-02-9
- Purity/Analytical method: >99.0%
-
7-[2-(Cyclopropylmethoxy)-6-hydroxyphenyl]-1,4-dihydro-5-[(3S)-3-piperidinyl]-2H-pyrido[2,3-d][1,3]oxazin-2-one hydrochloride
- CAS RN: 600734-06-3
- Product Code: starshine_CAS600734-06-3
- Purity/Analytical method: >99.0%
-
3-Iodo-N-[(benzyloxy)carbonyl]-O-benzyl-L-tyrosine Benzyl Ester
- CAS RN: 600737-79-9
- Product Code: SSC-168658
-
O-Benzyl-N-[(benzyloxy)carbonyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-L-tyrosine Benzyl Ester
- CAS RN: 600737-82-4
- Product Code: SSC-168659
-
-
5-(ChloroMethyl)-3-(3-fluorophenyl)-1,2,4-oxadiazole
- CAS RN: 601484-33-7
- Product Code: SSC-168714
![CAS 600734-02-9 7-[2-(Cyclopropylmethoxy)-6-hydroxyphenyl]-1,4-dihydro-5-(3S)-3-piperidinyl-2H-pyrido[2,3-d][1,3]oxazin-2-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/600734-02-9.gif)
![CAS 600734-06-3 7-[2-(Cyclopropylmethoxy)-6-hydroxyphenyl]-1,4-dihydro-5-[(3S)-3-piperidinyl]-2H-pyrido[2,3-d][1,3]oxazin-2-one hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/600734-06-3.gif)
![CAS 600737-79-9 3-Iodo-N-[(benzyloxy)carbonyl]-O-benzyl-L-tyrosine Benzyl Ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/600737-79-9.gif)
![CAS 600737-82-4 O-Benzyl-N-[(benzyloxy)carbonyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-L-tyrosine Benzyl Ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB02701787.gif)
