Benzoic acid, 2,4-dichloro-, (3-(formyloxy)decahydro-1-benzoxepin-2-yl)methyl ester, (2alpha,3beta,5abeta,9aalpha)-
概要：Benzoic acid, 2,4-dichloro-, (3-(formyloxy)decahydro-1-benzoxepin-2-yl)methyl ester, (2alpha,3beta,5abeta,9aalpha)-（CAS 101859-04-5）是一种化学化合物，分子式为C19H22Cl2O5，分子量为400.08 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。
[(2S,3R,5aR,9aS)-3-formyloxy-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b]oxepin-2-yl]methyl 2,4-dichlorobenzoate
又称：Benzoic acid, 2,4-dichloro-, (3-(formyloxy)decahydro-1-benzoxepin-2-yl)methyl ester, (2alpha,3beta,5abeta,9aalpha)-, [(1R,4R,5S,7S)-4-formyloxy-6-oxabicyclo[5.4.0]undec-5-yl]methyl 2,4-dichlorobenzoate, [(2S,3R,5aR,9aS)-3-(Formyloxy)decahydro-1-benzoxepin-2-yl]methyl 2,4-dichlorobenzoate, [(2S,3R,5aR,9aS)-3-formyloxy-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b]oxepin-2-yl]methyl 2,4-dichlorobenzoate
| 分子式 | C19H22Cl2O5 |
|---|---|
| 分子量 | 400.08 g/mol |
| LogP | 5.1 |
| 拓扑极性表面积 | 61.8 Ų |
| 氢键供体数 | 0 |
| 氢键受体数 | 5 |
| 可旋转键数 | 6 |
| 精确质量 | 400.08444 |
| 重原子数 | 26 |
| 复杂度 | 489.0 |
化学标识符
| CAS 编号 | 101859-04-5 |
|---|---|
| SMILES | C1CC[C@H]2[C@H](C1)CC[C@H]([C@@H](O2)COC(=O)C3=C(C=C(C=C3)Cl)Cl)OC=O |
| InChIKey | TWDSQINFZCXWJJ-IUHNQTRMSA-N |
产品概述
Benzoic acid, 2,4-dichloro-, (3-(formyloxy)decahydro-1-benzoxepin-2-yl)methyl ester, (2alpha,3beta,5abeta,9aalpha)-（CAS 101859-04-5），分子式为C19H22Cl2O5，分子量为400.08 g/mol。IUPAC名：[(2S,3R,5aR,9aS)-3-formyloxy-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b]oxepin-2-yl]methyl 2,4-dichlorobenzoate。
Benzoic acid, 2,4-dichloro-, (3-(formyloxy)decahydro-1-benzoxepin-2-yl)methyl ester, (2alpha,3beta,5abeta,9aalpha)-化学性质概览
属性洞察：Benzoic acid, 2,4-dichloro-, (3-(formyloxy)decahydro-1-benzoxepin-2-yl)methyl ester, (2alpha,3beta,5abeta,9aalpha)-
Benzoic acid, 2,4-dichloro-, (3-(formyloxy)decahydro-1-benzoxepin-2-yl)methyl ester, (2alpha,3beta,5abeta,9aalpha)-的XLogP值为5.1，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。 TPSA为61.8 Ų，处于中等极性范围，在透过性和溶解性之间取得平衡。 根据Lipinski五规则，Benzoic acid, 2,4-dichloro-, (3-(formyloxy)decahydro-1-benzoxepin-2-yl)methyl ester, (2alpha,3beta,5abeta,9aalpha)-有0个氢键供体和5个氢键受体，可能需要考虑配方优化。
常见问题
常见问题
Benzoic acid, 2,4-dichloro-, (3-(formyloxy)decahydro-1-benzoxepin-2-yl)methyl ester, (2alpha,3beta,5abeta,9aalpha)-的CAS号是多少？
Benzoic acid, 2,4-dichloro-, (3-(formyloxy)decahydro-1-benzoxepin-2-yl)methyl ester, (2alpha,3beta,5abeta,9aalpha)-的CAS号为101859-04-5。
Benzoic acid, 2,4-dichloro-, (3-(formyloxy)decahydro-1-benzoxepin-2-yl)methyl ester, (2alpha,3beta,5abeta,9aalpha)-的分子式是什么？
Benzoic acid, 2,4-dichloro-, (3-(formyloxy)decahydro-1-benzoxepin-2-yl)methyl ester, (2alpha,3beta,5abeta,9aalpha)-的分子式为C19H22Cl2O5。
Benzoic acid, 2,4-dichloro-, (3-(formyloxy)decahydro-1-benzoxepin-2-yl)methyl ester, (2alpha,3beta,5abeta,9aalpha)-的分子量是多少？
Benzoic acid, 2,4-dichloro-, (3-(formyloxy)decahydro-1-benzoxepin-2-yl)methyl ester, (2alpha,3beta,5abeta,9aalpha)-的分子量为400.08 g/mol。
在哪里可以购买Benzoic acid, 2,4-dichloro-, (3-(formyloxy)decahydro-1-benzoxepin-2-yl)methyl ester, (2alpha,3beta,5abeta,9aalpha)-？
您可以直接向科弘生物询价Benzoic acid, 2,4-dichloro-, (3-(formyloxy)decahydro-1-benzoxepin-2-yl)methyl ester, (2alpha,3beta,5abeta,9aalpha)-。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Benzoic acid, 2,4-dichloro-, (3-(formyloxy)decahydro-1-benzoxepin-2-yl)methyl ester, (2alpha,3beta,5abeta,9aalpha)-的定制合成服务？
是的，科弘生物提供Benzoic acid, 2,4-dichloro-, (3-(formyloxy)decahydro-1-benzoxepin-2-yl)methyl ester, (2alpha,3beta,5abeta,9aalpha)-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。