A83094A
TL;DR: A83094A (CAS 106803-22-9) is a chemical compound with molecular formula C29H39NO4 and molecular weight 465.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-methyl-6-[6-[4-(1H-pyrrole-2-carbonyl)-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]hexa-3,5-dien-3-yl]oxan-2-yl]propanoic acid
Also Known As: Deethylindanomycin, Omomycin, 16-Deethylindanomycin, A 83094A, 2-[5-methyl-6-[6-[4-(1H-pyrrole-2-carbonyl)-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]hexa-3,5-dien-3-yl]oxan-2-yl]propanoic acid
| Molecular Formula | C29H39NO4 |
|---|---|
| Molecular Weight | 465.29 g/mol |
| LogP | 6.2129 |
| Topological Polar Surface Area | 79.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 465.2879 |
| Heavy Atoms | 34 |
| Complexity | 943.34174 |
Chemical Identifiers
| CAS Number | 106803-22-9 |
|---|---|
| SMILES | CCC(=CC=CC1C=CC2CCCC2C1C(=O)C3=CC=CN3)C4C(CCC(O4)C(C)C(=O)O)C |
Product Overview
A83094A (CAS 106803-22-9), with molecular formula C29H39NO4 and molecular weight 465.29 g/mol. IUPAC: 2-[5-methyl-6-[6-[4-(1H-pyrrole-2-carbonyl)-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]hexa-3,5-dien-3-yl]oxan-2-yl]propanoic acid.
Chemical Property Profile of A83094A
Property Insights of A83094A
The XLogP value of 6.2129 indicates that A83094A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.39 Ų falls within the moderate polarity range, balancing permeability and solubility for A83094A. Following Lipinski's Rule of Five, A83094A has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A83094A?
The CAS number of A83094A is 106803-22-9.
What is the molecular formula of A83094A?
The molecular formula of A83094A is C29H39NO4.
What is the molecular weight of A83094A?
The molecular weight of A83094A is 465.29 g/mol.
Where can I buy A83094A?
You can request a quote for A83094A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A83094A?
Yes, KEHONG BIO provides custom synthesis services for A83094A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.