4-10-00-03174 (Beilstein Handbook Reference)
TL;DR: 4-10-00-03174 (Beilstein Handbook Reference) (CAS 5356-98-9) is a chemical compound with molecular formula C27H40O4 and molecular weight 428.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5-dimethyl-6-(6-methylheptan-2-yl)-11,13-dioxotetracyclo[10.3.1.02,10.05,9]hexadec-14-ene-15-carboxylic acid
Also Known As: 4-10-00-03174 (Beilstein Handbook Reference), 6,10-Methano-1H-cyclooct(e)indene-7-carboxylic acid, 3-(1,5-dimethylhexyl)-2,3,3a,4,5,5a,6,9,10,11,11a,11b-dodecahydro-3a,6-dimethyl-9,11-dioxo-, 2,7-Cyclo-6,7-secocholest-4-en-6-oic acid, 3,7-dioxo-, 3a,6-dimethyl-3-(6-methylheptan-2-yl)-9,11-dioxo-2,3,3a,4,5,5a,6,9,10,11,11a,11b-dodecahydro-1h-6,10-methanocycloocta[e]indene-7-carboxylic acid, acide dioxo-3,6 abeo 6(5->4) B-nor (10
| Molecular Formula | C27H40O4 |
|---|---|
| Molecular Weight | 428.29 g/mol |
| LogP | 7.2 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 428.29266 |
| Heavy Atoms | 31 |
| Complexity | 810.0 |
Chemical Identifiers
| CAS Number | 5356-98-9 |
|---|---|
| SMILES | CC(C)CCCC(C)C1CCC2C1(CCC3C2C(=O)C4CC3(C(=CC4=O)C(=O)O)C)C |
| InChIKey | CPOBSJFACVUGSW-UHFFFAOYSA-N |
Product Overview
4-10-00-03174 (Beilstein Handbook Reference) (CAS 5356-98-9), with molecular formula C27H40O4 and molecular weight 428.29 g/mol. IUPAC: 1,5-dimethyl-6-(6-methylheptan-2-yl)-11,13-dioxotetracyclo[10.3.1.02,10.05,9]hexadec-14-ene-15-carboxylic acid.
Chemical Property Profile of 4-10-00-03174 (Beilstein Handbook Reference)
Property Insights of 4-10-00-03174 (Beilstein Handbook Reference)
The XLogP value of 7.2 indicates that 4-10-00-03174 (Beilstein Handbook Reference) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-10-00-03174 (Beilstein Handbook Reference). Following Lipinski's Rule of Five, 4-10-00-03174 (Beilstein Handbook Reference) has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-10-00-03174 (Beilstein Handbook Reference)?
The CAS number of 4-10-00-03174 (Beilstein Handbook Reference) is 5356-98-9.
What is the molecular formula of 4-10-00-03174 (Beilstein Handbook Reference)?
The molecular formula of 4-10-00-03174 (Beilstein Handbook Reference) is C27H40O4.
What is the molecular weight of 4-10-00-03174 (Beilstein Handbook Reference)?
The molecular weight of 4-10-00-03174 (Beilstein Handbook Reference) is 428.29 g/mol.
Where can I buy 4-10-00-03174 (Beilstein Handbook Reference)?
You can request a quote for 4-10-00-03174 (Beilstein Handbook Reference) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-10-00-03174 (Beilstein Handbook Reference)?
Yes, KEHONG BIO provides custom synthesis services for 4-10-00-03174 (Beilstein Handbook Reference) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.