beta-Allamcidin
TL;DR: beta-Allamcidin (CAS 93452-24-5) is a chemical compound with molecular formula C15H18O7 and molecular weight 310.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,4S,4aS,7aS)-3'-acetyl-1,2'-dihydroxy-2'-methylspiro[3,4,4a,7a-tetrahydro-1H-cyclopenta[c]pyran-7,5'-furan]-4-carboxylic acid
Also Known As: beta-Allamcidin, (1S,4S,4aS,7aS)-3'-acetyl-1,2'-dihydroxy-2'-methylspiro[3,4,4a,7a-tetrahydro-1H-cyclopenta[c]pyran-7,5'-furan]-4-carboxylic acid, (1S,4S,4aS,7aS)-4'-Acetyl-1,5'-dihydroxy-5'-methyl-3,4,4a,7a-tetrahydro-1H,5'H-spiro[cyclopenta[c]pyran-7,2'-furan]-4-carboxylic acid, 4'-Acetyl-1,5'-dihydroxy-5'-methyl-3,4,4a,7a-tetrahydro-1H,5'H-spiro[cyclopenta[c]pyran-7,2'-furan]-4-carboxylic acid, Spiro(cyclopenta(c)pyran-7(1H),2'(5'H)-furan)-4-carboxylic acid, 3,4,4a,7a-tetrahydro-1-hydroxy-4'-(1-hydroxyethyl)-5'-oxo-, methyl ester, (1R-(1alpha,4beta,4aalpha,7alpha(S*),7aalpha))-
| Molecular Formula | C15H18O7 |
|---|---|
| Molecular Weight | 310.11 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 310.10526 |
| Heavy Atoms | 22 |
| Complexity | 595.0 |
Chemical Identifiers
| CAS Number | 93452-24-5 |
|---|---|
| SMILES | CC(=O)C1=CC2(C=C[C@H]3[C@@H]2[C@H](OC[C@H]3C(=O)O)O)OC1(C)O |
| InChIKey | YMLJQHCWBGQZEQ-GOTIIEJDSA-N |
Product Overview
beta-Allamcidin (CAS 93452-24-5), with molecular formula C15H18O7 and molecular weight 310.11 g/mol. IUPAC: (1S,4S,4aS,7aS)-3'-acetyl-1,2'-dihydroxy-2'-methylspiro[3,4,4a,7a-tetrahydro-1H-cyclopenta[c]pyran-7,5'-furan]-4-carboxylic acid.
Chemical Property Profile of beta-Allamcidin
Property Insights of beta-Allamcidin
The XLogP value of -0.7 indicates that beta-Allamcidin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for beta-Allamcidin. Following Lipinski's Rule of Five, beta-Allamcidin has 3 hydrogen bond donor(s) and 7 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 beta-Allamcidin?
The CAS number of beta-Allamcidin is 93452-24-5.
What is the molecular formula of beta-Allamcidin?
The molecular formula of beta-Allamcidin is C15H18O7.
What is the molecular weight of beta-Allamcidin?
The molecular weight of beta-Allamcidin is 310.11 g/mol.
Where can I buy beta-Allamcidin?
You can request a quote for beta-Allamcidin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Allamcidin?
Yes, KEHONG BIO provides custom synthesis services for beta-Allamcidin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.