AB 3217-B
TL;DR: AB 3217-B (CAS 139159-00-5) is a chemical compound with molecular formula C25H37NO9 and molecular weight 495.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,3S,4S,7R,8R,11R,12S,13R)-4,12-dihydroxy-8-(4-methoxyphenyl)-2,9,14-trioxa-6-azatricyclo[9.2.1.03,7]tetradecan-13-yl] 6-hydroxy-6-methylheptanoate
Also Known As: AB 3217-B, AB-3217B, [(1R,3S,4S,7R,8R,11R,12S,13R)-4,12-Dihydroxy-8-(4-methoxyphenyl)-2,9,14-trioxa-6-azatricyclo[9.2.1.03,7]tetradecan-13-yl] 6-hydroxy-6-methylheptanoate, Heptanoic acid, 6-hydroxy-6-methyl-, decahydro-3,7-dihydroxy-11-(4-methoxyphenyl)-5,8-epoxy-5H-(1,5)dioxecino(3,2-b)pyrrol-6-yl ester, (1R,3S,4S,7R,8R,11R,12S,13R)-4,12-dihydroxy-8-(4-methoxyphenyl)-2,9,14-trioxa-6-azatricyclo[9.2.1.03,7]tetradecan-13-yl 6-hydroxy-6-methylheptanoate
| Molecular Formula | C25H37NO9 |
|---|---|
| Molecular Weight | 495.25 g/mol |
| LogP | 0.8133 |
| Topological Polar Surface Area | 135.94 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 495.24683 |
| Heavy Atoms | 35 |
| Complexity | 842.3344 |
Chemical Identifiers
| CAS Number | 139159-00-5 |
|---|---|
| SMILES | CC(C)(CCCCC(=O)O[C@@H]1[C@H]([C@H]2CO[C@@H]([C@@H]3[C@@H]([C@H](CN3)O)O[C@@H]1O2)C4=CC=C(C=C4)OC)O)O |
Product Overview
AB 3217-B (CAS 139159-00-5), with molecular formula C25H37NO9 and molecular weight 495.25 g/mol. IUPAC: [(1R,3S,4S,7R,8R,11R,12S,13R)-4,12-dihydroxy-8-(4-methoxyphenyl)-2,9,14-trioxa-6-azatricyclo[9.2.1.03,7]tetradecan-13-yl] 6-hydroxy-6-methylheptanoate.
Chemical Property Profile of AB 3217-B
Property Insights of AB 3217-B
The XLogP value of 0.8133 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB 3217-B. The TPSA of 135.94 Ų falls within the moderate polarity range, balancing permeability and solubility for AB 3217-B. Following Lipinski's Rule of Five, AB 3217-B has 4 hydrogen bond donor(s) and 10 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 AB 3217-B?
The CAS number of AB 3217-B is 139159-00-5.
What is the molecular formula of AB 3217-B?
The molecular formula of AB 3217-B is C25H37NO9.
What is the molecular weight of AB 3217-B?
The molecular weight of AB 3217-B is 495.25 g/mol.
Where can I buy AB 3217-B?
You can request a quote for AB 3217-B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB 3217-B?
Yes, KEHONG BIO provides custom synthesis services for AB 3217-B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.