Yamataimine
TL;DR: Yamataimine (CAS 67113-69-3) is a chemical compound with molecular formula C21H29ClO6S and molecular weight 444.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(1R,2S,3S,5R)-2-[(2R)-3-(3-chlorophenoxy)-2-hydroxypropyl]sulfanyl-3,5-dihydroxycyclopentyl]hept-5-enoic acid
Also Known As: Yamataimine
| Molecular Formula | C21H29ClO6S |
|---|---|
| Molecular Weight | 444.14 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 444.13733 |
| Heavy Atoms | 29 |
| Complexity | 519.0 |
Chemical Identifiers
| CAS Number | 67113-69-3 |
|---|---|
| SMILES | C1[C@H]([C@H]([C@@H]([C@H]1O)SC[C@@H](COC2=CC(=CC=C2)Cl)O)CC=CCCCC(=O)O)O |
| InChIKey | KFUDFIMHDRJVLV-LGOLQKBTSA-N |
Product Overview
Yamataimine (CAS 67113-69-3), with molecular formula C21H29ClO6S and molecular weight 444.14 g/mol. IUPAC: 7-[(1R,2S,3S,5R)-2-[(2R)-3-(3-chlorophenoxy)-2-hydroxypropyl]sulfanyl-3,5-dihydroxycyclopentyl]hept-5-enoic acid.
Chemical Property Profile of Yamataimine
Property Insights of Yamataimine
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Yamataimine. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Yamataimine. Following Lipinski's Rule of Five, Yamataimine has 4 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 Yamataimine?
The CAS number of Yamataimine is 67113-69-3.
What is the molecular formula of Yamataimine?
The molecular formula of Yamataimine is C21H29ClO6S.
What is the molecular weight of Yamataimine?
The molecular weight of Yamataimine is 444.14 g/mol.
Where can I buy Yamataimine?
You can request a quote for Yamataimine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Yamataimine?
Yes, KEHONG BIO provides custom synthesis services for Yamataimine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.