SAH1_002643
TL;DR: SAH1_002643 (CAS 6105-58-4) is a chemical compound with molecular formula C31H35IN2O10 and molecular weight 722.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[1,3-benzodioxol-5-ylmethyl(5-oxohexanoyl)amino]-3-(4-formyl-2-iodo-6-methoxyphenoxy)-4-hydroxy-N-(2-hydroxyethyl)cyclohexene-1-carboxamide
Also Known As: SAH1_002643, 5-[1,3-benzodioxol-5-ylmethyl(5-oxohexanoyl)amino]-3-(4-formyl-2-iodo-6-methoxyphenoxy)-4-hydroxy-N-(2-hydroxyethyl)cyclohexene-1-carboxamide
| Molecular Formula | C31H35IN2O10 |
|---|---|
| Molecular Weight | 722.13 g/mol |
| LogP | 2.5446 |
| Topological Polar Surface Area | 160.93 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 14 |
| Exact Mass | 722.13367 |
| Heavy Atoms | 44 |
| Complexity | 1428.4043 |
Chemical Identifiers
| CAS Number | 6105-58-4 |
|---|---|
| SMILES | CC(=O)CCCC(=O)N(CC1=CC2=C(C=C1)OCO2)C3CC(=CC(C3O)OC4=C(C=C(C=C4I)C=O)OC)C(=O)NCCO |
Product Overview
SAH1_002643 (CAS 6105-58-4), with molecular formula C31H35IN2O10 and molecular weight 722.13 g/mol. IUPAC: 5-[1,3-benzodioxol-5-ylmethyl(5-oxohexanoyl)amino]-3-(4-formyl-2-iodo-6-methoxyphenoxy)-4-hydroxy-N-(2-hydroxyethyl)cyclohexene-1-carboxamide.
Chemical Property Profile of SAH1_002643
Property Insights of SAH1_002643
The XLogP value of 2.5446 suggests moderate lipophilicity, balancing water solubility and membrane permeability for SAH1_002643. The TPSA of 160.93 Ų indicates high polarity, suggesting SAH1_002643 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, SAH1_002643 has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of SAH1_002643?
The CAS number of SAH1_002643 is 6105-58-4.
What is the molecular formula of SAH1_002643?
The molecular formula of SAH1_002643 is C31H35IN2O10.
What is the molecular weight of SAH1_002643?
The molecular weight of SAH1_002643 is 722.13 g/mol.
Where can I buy SAH1_002643?
You can request a quote for SAH1_002643 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SAH1_002643?
Yes, KEHONG BIO provides custom synthesis services for SAH1_002643 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.