A3013/0127005
TL;DR: A3013/0127005 (CAS 111412-84-1) is a chemical compound with molecular formula C17H20O8 and molecular weight 352.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(7,9-dioxo-6,10-dioxaspiro[4.5]decan-8-yl)methyl]-6,10-dioxaspiro[4.5]decane-7,9-dione
Also Known As: A3013/0127005, 8,8'-methanediylbis(6,10-dioxaspiro[4.5]decane-7,9-dione), 8-({7,9-DIOXO-6,10-DIOXASPIRO[4.5]DECAN-8-YL}METHYL)-6,10-DIOXASPIRO[4.5]DECANE-7,9-DIONE, 8-[(7,9-DIOXO-6,10-DIOXASPIRO[4.5]DEC-8-YL)METHYL]-6,10-DIOXASPIRO[4.5]DECANE-7,9-DIONE, 8-[(7,9-dioxo-6,10-dioxaspiro[4.5]decan-8-yl)methyl]-6,10-dioxaspiro[4.5]decane-7,9-dione
| Molecular Formula | C17H20O8 |
|---|---|
| Molecular Weight | 352.12 g/mol |
| LogP | 1.3495 |
| Topological Polar Surface Area | 105.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 352.1158 |
| Heavy Atoms | 25 |
| Complexity | 532.5591 |
Chemical Identifiers
| CAS Number | 111412-84-1 |
|---|---|
| SMILES | C1CCC2(C1)OC(=O)C(C(=O)O2)CC3C(=O)OC4(CCCC4)OC3=O |
Product Overview
A3013/0127005 (CAS 111412-84-1), with molecular formula C17H20O8 and molecular weight 352.12 g/mol. IUPAC: 8-[(7,9-dioxo-6,10-dioxaspiro[4.5]decan-8-yl)methyl]-6,10-dioxaspiro[4.5]decane-7,9-dione.
Chemical Property Profile of A3013/0127005
Property Insights of A3013/0127005
The XLogP value of 1.3495 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3013/0127005. The TPSA of 105.2 Ų falls within the moderate polarity range, balancing permeability and solubility for A3013/0127005. Following Lipinski's Rule of Five, A3013/0127005 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3013/0127005?
The CAS number of A3013/0127005 is 111412-84-1.
What is the molecular formula of A3013/0127005?
The molecular formula of A3013/0127005 is C17H20O8.
What is the molecular weight of A3013/0127005?
The molecular weight of A3013/0127005 is 352.12 g/mol.
Where can I buy A3013/0127005?
You can request a quote for A3013/0127005 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3013/0127005?
Yes, KEHONG BIO provides custom synthesis services for A3013/0127005 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.