Sippr 113
TL;DR: Sippr 113 (CAS 6633-05-2) is a chemical compound with molecular formula C30H38O8 and molecular weight 526.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(2R,3aS,3bS,5aS,6R,8aS,8bR,10aS)-2-(3-carboxypropanoyloxy)-2,6-diethynyl-3a,5a-dimethyl-1,3,3b,4,5,7,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]inden-6-yl]oxy]-4-oxobutanoic acid
Also Known As: Sippr 113, SIPPR113, 4,4'-{[(1r,3as,3br,5as,7r,8as,8bs,10as)-1,7-diethynyl-8a,10a-dimethylhexadecahydrodicyclopenta[a,f]naphthalene-1,7-diyl]bis(oxy)}bis(4-oxobutanoic acid), 2-alpha,17-alpha-Diethynyl-A-nor-5-alpha-androstane-2-beta,17-beta-diol dihemisuccinate, A-Norpregn-20-yne-2,17-diol, 2-ethynyl-, bis(hydrogen butanedioate), (2beta,5alpha,17alpha)-
| Molecular Formula | C30H38O8 |
|---|---|
| Molecular Weight | 526.26 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 526.25665 |
| Heavy Atoms | 38 |
| Complexity | 1120.0 |
Chemical Identifiers
| CAS Number | 6633-05-2 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)OC(=O)CCC(=O)O)CC[C@@H]4[C@@]3(C[C@](C4)(C#C)OC(=O)CCC(=O)O)C |
| InChIKey | KQASQXNTJIIRRU-OAHMOMQBSA-N |
Product Overview
Sippr 113 (CAS 6633-05-2), with molecular formula C30H38O8 and molecular weight 526.26 g/mol. IUPAC: 4-[[(2R,3aS,3bS,5aS,6R,8aS,8bR,10aS)-2-(3-carboxypropanoyloxy)-2,6-diethynyl-3a,5a-dimethyl-1,3,3b,4,5,7,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]inden-6-yl]oxy]-4-oxobutanoic acid.
Chemical Property Profile of Sippr 113
Property Insights of Sippr 113
The XLogP value of 3.7 indicates that Sippr 113 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Sippr 113. Following Lipinski's Rule of Five, Sippr 113 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sippr 113?
The CAS number of Sippr 113 is 6633-05-2.
What is the molecular formula of Sippr 113?
The molecular formula of Sippr 113 is C30H38O8.
What is the molecular weight of Sippr 113?
The molecular weight of Sippr 113 is 526.26 g/mol.
Where can I buy Sippr 113?
You can request a quote for Sippr 113 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sippr 113?
Yes, KEHONG BIO provides custom synthesis services for Sippr 113 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.