![{5-[chloro(difluoro)methyl]-2,3-dihydro-1H-1,4-diazepin-1-yl}[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]methanone structure](/static/products/4390/439096-47-6.webp)
{5-[chloro(difluoro)methyl]-2,3-dihydro-1H-1,4-diazepin-1-yl}[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]methanone
概要：{5-[chloro(difluoro)methyl]-2,3-dihydro-1H-1,4-diazepin-1-yl}[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]methanone（CAS 439096-47-6）是一种化学化合物，分子式为C17H12Cl2F3N3O2，分子量为417.03 g/mol。河南科弘生物科技有限公司提供CRO/CDMO定制合成服务，支持克级到吨级规格。
[5-[chloro(difluoro)methyl]-2,3-dihydro-1,4-diazepin-1-yl]-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone
又称：{5-[chloro(difluoro)methyl]-2,3-dihydro-1H-1,4-diazepin-1-yl}[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]methanone, [5-[chloro(difluoro)methyl]-2,3-dihydro-1,4-diazepin-1-yl]-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone, 1-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-5-(chlorodifluoromethyl)-2,3-dihydro-1H-1,4-diazepine, [5-(Chlorodifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-1-yl][3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]methanone, 1-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-5-(chlorodifluoromethyl)-2,3-dihydro-1,4-diazepine
| 分子式 | C17H12Cl2F3N3O2 |
|---|---|
| 分子量 | 417.03 g/mol |
| LogP | 4.68462 |
| 拓扑极性表面积 | 58.7 Ų |
| 氢键供体数 | 0 |
| 氢键受体数 | 4 |
| 可旋转键数 | 3 |
| 精确质量 | 417.02588 |
| 重原子数 | 27 |
| 复杂度 | 931.1357 |
化学标识符
| CAS 编号 | 439096-47-6 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)N3CCN=C(C=C3)C(F)(F)Cl |
产品概述
{5-[chloro(difluoro)methyl]-2,3-dihydro-1H-1,4-diazepin-1-yl}[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]methanone（CAS 439096-47-6），分子式为C17H12Cl2F3N3O2，分子量为417.03 g/mol。IUPAC名：[5-[chloro(difluoro)methyl]-2,3-dihydro-1,4-diazepin-1-yl]-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone。
{5-[chloro(difluoro)methyl]-2,3-dihydro-1H-1,4-diazepin-1-yl}[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]methanone化学性质概览
属性洞察：{5-[chloro(difluoro)methyl]-2,3-dihydro-1H-1,4-diazepin-1-yl}[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]methanone
{5-[chloro(difluoro)methyl]-2,3-dihydro-1H-1,4-diazepin-1-yl}[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]methanone的XLogP值为4.68462，表明该化合物具有亲脂性（脂溶性好），可能影响其吸收、分布和配方策略。 {5-[chloro(difluoro)methyl]-2,3-dihydro-1H-1,4-diazepin-1-yl}[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]methanone的拓扑极性表面积（TPSA）为58.7 Ų，极性较低，可能具有较好的细胞膜透过性。 根据Lipinski五规则，{5-[chloro(difluoro)methyl]-2,3-dihydro-1H-1,4-diazepin-1-yl}[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]methanone有0个氢键供体和4个氢键受体，均在类药范围内，提示具有较好的口服生物利用度潜力。
常见问题
常见问题
{5-[chloro(difluoro)methyl]-2,3-dihydro-1H-1,4-diazepin-1-yl}[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]methanone的CAS号是多少？
{5-[chloro(difluoro)methyl]-2,3-dihydro-1H-1,4-diazepin-1-yl}[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]methanone的CAS号为439096-47-6。
{5-[chloro(difluoro)methyl]-2,3-dihydro-1H-1,4-diazepin-1-yl}[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]methanone的分子式是什么？
{5-[chloro(difluoro)methyl]-2,3-dihydro-1H-1,4-diazepin-1-yl}[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]methanone的分子式为C17H12Cl2F3N3O2。
{5-[chloro(difluoro)methyl]-2,3-dihydro-1H-1,4-diazepin-1-yl}[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]methanone的分子量是多少？
{5-[chloro(difluoro)methyl]-2,3-dihydro-1H-1,4-diazepin-1-yl}[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]methanone的分子量为417.03 g/mol。
在哪里可以购买{5-[chloro(difluoro)methyl]-2,3-dihydro-1H-1,4-diazepin-1-yl}[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]methanone？
您可以直接向科弘生物询价{5-[chloro(difluoro)methyl]-2,3-dihydro-1H-1,4-diazepin-1-yl}[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]methanone。联系我们或发送邮件至info@kehongbio.com获取报价和库存信息。
科弘生物是否提供{5-[chloro(difluoro)methyl]-2,3-dihydro-1H-1,4-diazepin-1-yl}[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]methanone的定制合成服务？
是的，科弘生物提供{5-[chloro(difluoro)methyl]-2,3-dihydro-1H-1,4-diazepin-1-yl}[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]methanone及相关化合物的定制合成服务。请联系我们并告知您的具体需求，包括数量、纯度和交期。