Swr 104SA
TL;DR: Swr 104SA (CAS 152191-74-7) is a chemical compound with molecular formula C29H35BrN2O8 and molecular weight 618.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1'-bromo-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]spiro[1,3-dioxolane-2,9'-pentacyclo[4.3.0.02,5.03,8.04,7]nonane]-4'-carboxamide;oxalic acid
Also Known As: SWR 104SA, SWR-104SA, 1'-Bromo-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]spiro[1,3-dioxolane-2,9'-pentacyclo[4.3.0.02,5.03,8.04,7]nonane]-4'-carboxamide;oxalic acid, Oxalic acid--1'-bromo-N-(3-{3-[(piperidin-1-yl)methyl]phenoxy}propyl)spiro[[1,3]dioxolane-2,9'-pentacyclo[4.3.0.0~2,5~.0~3,8~.0~4,7~]nonane]-4'-carboximidic acid (1/1), Oxalic acid--1'-bromo-N-(3-{3-[(piperidin-1-yl)methyl]phenoxy}propyl)spiro[1,3-dioxolane-2,9'-pentacyclo[4.3.0.0~2,5~.0~3,8~.0~4,7~]nonane]-4'-carboximidic acid (1/1)
| Molecular Formula | C29H35BrN2O8 |
|---|---|
| Molecular Weight | 618.16 g/mol |
| LogP | 2.3416 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 618.15765 |
| Heavy Atoms | 40 |
| Complexity | 922.0 |
Chemical Identifiers
| CAS Number | 152191-74-7 |
|---|---|
| SMILES | C1CCN(CC1)CC2=CC(=CC=C2)OCCCNC(=O)C34C5C6C3C7C4C5C6(C78OCCO8)Br.C(=O)(C(=O)O)O |
| InChIKey | VTIDTUMZCWZDAX-UHFFFAOYSA-N |
Product Overview
Swr 104SA (CAS 152191-74-7), with molecular formula C29H35BrN2O8 and molecular weight 618.16 g/mol. IUPAC: 1'-bromo-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]spiro[1,3-dioxolane-2,9'-pentacyclo[4.3.0.02,5.03,8.04,7]nonane]-4'-carboxamide;oxalic acid.
Chemical Property Profile of Swr 104SA
Property Insights of Swr 104SA
The XLogP value of 2.3416 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Swr 104SA. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Swr 104SA. Following Lipinski's Rule of Five, Swr 104SA has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Swr 104SA?
The CAS number of Swr 104SA is 152191-74-7.
What is the molecular formula of Swr 104SA?
The molecular formula of Swr 104SA is C29H35BrN2O8.
What is the molecular weight of Swr 104SA?
The molecular weight of Swr 104SA is 618.16 g/mol.
Where can I buy Swr 104SA?
You can request a quote for Swr 104SA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Swr 104SA?
Yes, KEHONG BIO provides custom synthesis services for Swr 104SA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.