There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.
Type | HazMat fee for 500 gram (Estimated) |
Excepted Quantity | USD 0.00 |
Limited Quantity | USD 15-60 |
Inaccessible (Haz class 6.1), Domestic | USD 80+ |
Inaccessible (Haz class 6.1), International | USD 150+ |
Accessible (Haz class 3, 4, 5 or 8), Domestic | USD 100+ |
Accessible (Haz class 3, 4, 5 or 8), International | USD 200+ |
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. : | 118184-66-0 | MDL No. : | MFCD00626840 |
Formula : | C10H13N | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | XSUSWKYDSROWDL-UHFFFAOYSA-N |
M.W : | 147.22 | Pubchem ID : | 13953866 |
Synonyms : |
|
Num. heavy atoms : | 11 |
Num. arom. heavy atoms : | 6 |
Fraction Csp3 : | 0.4 |
Num. rotatable bonds : | 2 |
Num. H-bond acceptors : | 1.0 |
Num. H-bond donors : | 1.0 |
Molar Refractivity : | 46.58 |
TPSA : | 26.02 Ų |
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) : | -6.0 cm/s |
Log Po/w (iLOGP) : | 2.09 |
Log Po/w (XLOGP3) : | 1.69 |
Log Po/w (WLOGP) : | 1.81 |
Log Po/w (MLOGP) : | 2.1 |
Log Po/w (SILICOS-IT) : | 2.54 |
Consensus Log Po/w : | 2.05 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 2.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -2.09 |
Solubility : | 1.2 mg/ml ; 0.00815 mol/l |
Class : | Soluble |
Log S (Ali) : | -1.85 |
Solubility : | 2.07 mg/ml ; 0.0141 mol/l |
Class : | Very soluble |
Log S (SILICOS-IT) : | -3.02 |
Solubility : | 0.14 mg/ml ; 0.000953 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 1.08 |
Signal Word: | Danger | Class: | 8 |
Precautionary Statements: | P280-P305+P351+P338-P310 | UN#: | 2735 |
Hazard Statements: | H227-H314 | Packing Group: | Ⅲ |
GHS Pictogram: |
* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
at 20℃; for 14h; | 33 General procedure: To a solution of 79 14 (50mg, 0.11mmol) in 51 DMI (1mL), 85 cyclohexylamine (30μL, 0.26mmol) was added and stirred at room temperature for 14h. The reaction mixture was concentrated in vacuo. To the residue in CH2Cl2 (1mL), 12 TFA (85μL, 1.1mmol) was added and stirred at room temperature for 5h. The reaction mixture was concentrated in vacuo and chromatographed on amino silicagel with elution using (CHCl3-MeOH) (98:2 to 90:10) to give 86 15b (20mg, 47%) as a colorless solid. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
57% | Stage #1: 3-((4-(ethylsulfonyl)benzyl)carbamoyl)benzoic acid With N-ethyl-N,N-diisopropylamine; HATU In tetrahydrofuran at 20℃; for 0.5h; Stage #2: 2-cyclopropylbenzylamine In tetrahydrofuran at 20℃; for 4h; | 2.3 Third step: Preparation of N1- (2-cyclopropylbenzyl) -N3- (4- (ethylsulfonyl) benzyl) isophthalamide 3-((4- (ethylsulfonyl) benzyl) carbamoyl) benzoic acid (100.0 mg, 0.3 mmol), HATU (273.6 mg, 0.7 mmol) and DIPEA (223.2 mg, 1.7 mmol) were dissolved in tetrahydrofuran (5 mL), after stirring at room temperature for 0.5 hours, 2-cyclopropylbenzylamine (63.6 mg, 0.4 mmol) was added, and the mixture was reacted at room temperature for 4 hours. Then, an appropriate amount of water was added, and extraction was performed 3 times with ethyl acetate. The organic phases were combined and washed with a saturated sodium chloride solution, dried over anhydrous sodium sulfate, filtered, and the filtrate was concentrated. The concentrate was purified by preparative high performance liquid chromatography to obtain the title compound (80.0 mg, yield: 57%) in this step. |
[ 4395-73-7 ]
(4-Isopropylphenyl)methanamine
Similarity: 0.90
[ 125802-37-1 ]
1-Phenylcycloheptanamine hydrochloride
Similarity: 0.83
[ 73930-39-9 ]
1-Phenylcyclopropanamine hydrochloride
Similarity: 0.83
[ 4395-73-7 ]
(4-Isopropylphenyl)methanamine
Similarity: 0.90
[ 125802-37-1 ]
1-Phenylcycloheptanamine hydrochloride
Similarity: 0.83
[ 73930-39-9 ]
1-Phenylcyclopropanamine hydrochloride
Similarity: 0.83