Purity | Size | Price | VIP Price | USA Stock *0-1 Day | Global Stock *5-7 Days | Quantity | |||||
{[ item.p_purity ]} | {[ item.pr_size ]} |
{[ getRatePrice(item.pr_usd, 1,1) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} |
{[ getRatePrice(item.pr_usd, 1,1) ]} | Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} {[ getRatePrice(item.pr_usd,1,item.mem_rate) ]} | {[ item.pr_usastock ]} | Inquiry - | {[ item.pr_chinastock ]} | Inquiry - |
* Storage: {[proInfo.prStorage]}
CAS No. : | 1330765-76-8 | MDL No. : | MFCD20230714 |
Formula : | C17H23N3O3 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | DJFBDYSETMLRIJ-UHFFFAOYSA-N |
M.W : | 317.38 | Pubchem ID : | 71305459 |
Synonyms : |
|
Num. heavy atoms : | 23 |
Num. arom. heavy atoms : | 6 |
Fraction Csp3 : | 0.59 |
Num. rotatable bonds : | 3 |
Num. H-bond acceptors : | 4.0 |
Num. H-bond donors : | 1.0 |
Molar Refractivity : | 93.56 |
TPSA : | 71.53 Ų |
GI absorption : | High |
BBB permeant : | No |
P-gp substrate : | Yes |
CYP1A2 inhibitor : | No |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -7.26 cm/s |
Log Po/w (iLOGP) : | 2.72 |
Log Po/w (XLOGP3) : | 1.37 |
Log Po/w (WLOGP) : | 1.33 |
Log Po/w (MLOGP) : | 1.37 |
Log Po/w (SILICOS-IT) : | 1.87 |
Consensus Log Po/w : | 1.73 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -2.67 |
Solubility : | 0.685 mg/ml ; 0.00216 mol/l |
Class : | Soluble |
Log S (Ali) : | -2.47 |
Solubility : | 1.06 mg/ml ; 0.00335 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -4.11 |
Solubility : | 0.0246 mg/ml ; 0.0000776 mol/l |
Class : | Moderately soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 0.0 |
Synthetic accessibility : | 3.21 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P261-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H302-H315-H319-H335 | Packing Group: | N/A |
GHS Pictogram: |
[ 1151665-15-4 ]
tert-Butyl 2-chloro-7,8-dihydro-1,6-naphthyridine-6(5H)-carboxylate
Similarity: 0.76
[ 252882-60-3 ]
1'-Boc-1,2-dihydro-2-oxo-spiro[3H-indole-3,4'-piperidine]
Similarity: 0.73
[ 167484-91-5 ]
tert-Butyl 5-fluorospiro[indoline-3,4'-piperidine]-1'-carboxylate
Similarity: 0.71
[ 205383-87-5 ]
tert-Butyl 2-oxospiro[indoline-3,3'-pyrrolidine]-1'-carboxylate
Similarity: 0.70
[ 155058-02-9 ]
7,8-Dihydro-1,6-naphthyridin-5(6H)-one
Similarity: 0.70
[ 301666-63-7 ]
6,7-Dihydro-1,7-naphthyridin-8(5H)-one
Similarity: 0.56
[ 252882-60-3 ]
1'-Boc-1,2-dihydro-2-oxo-spiro[3H-indole-3,4'-piperidine]
Similarity: 0.73
[ 167484-91-5 ]
tert-Butyl 5-fluorospiro[indoline-3,4'-piperidine]-1'-carboxylate
Similarity: 0.71
[ 205383-87-5 ]
tert-Butyl 2-oxospiro[indoline-3,3'-pyrrolidine]-1'-carboxylate
Similarity: 0.70
[ 752234-64-3 ]
tert-Butyl 5-methoxy-2-oxospiro[indoline-3,4'-piperidine]-1'-carboxylate
Similarity: 0.70
[ 866028-06-0 ]
tert-Butyl 5-fluoro-2-oxospiro[indoline-3,4'-piperidine]-1'-carboxylate
Similarity: 0.67