Sid 696205
TL;DR: Sid 696205 (CAS 64598-85-2) is a chemical compound with molecular formula C18H14O3 and molecular weight 278.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,6S,7R,8S)-5-oxapentacyclo[9.8.0.03,9.04,6.012,17]nonadeca-1,3(9),10,12,14,16,18-heptaene-7,8-diol
Also Known As: Sid 696205, 1a,2,3,11b-Tetrahydrobenz(5,6)anthra(1,2-b)oxirene-2,3-diol (1aalpha,2alpha,3beta,11balpha)-(+-)-, Benz(5,6)anthra(1,2-b)oxirene-2,3-diol, 1a,2,3,11b-tetrahydro-, (1aalpha,2alpha,3beta,11balpha)-(+-)-, Benz[5,6]anthra[1,2-b]oxirene-2,3-diol, 1a,2,3,11b-tetrahydro-, (1a.alpha.,2.alpha.,3.beta.,11b.alpha.)-(.+.)-
| Molecular Formula | C18H14O3 |
|---|---|
| Molecular Weight | 278.09 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 53.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 278.0943 |
| Heavy Atoms | 21 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 64598-85-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC3=CC4=C(C=C32)[C@@H]([C@H]([C@H]5[C@@H]4O5)O)O |
| InChIKey | HZDVGGXATJSVKB-MLHJIOFPSA-N |
Product Overview
Sid 696205 (CAS 64598-85-2), with molecular formula C18H14O3 and molecular weight 278.09 g/mol. IUPAC: (4R,6S,7R,8S)-5-oxapentacyclo[9.8.0.03,9.04,6.012,17]nonadeca-1,3(9),10,12,14,16,18-heptaene-7,8-diol.
Chemical Property Profile of Sid 696205
Property Insights of Sid 696205
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sid 696205. With a topological polar surface area (TPSA) of 53.0 Ų, Sid 696205 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sid 696205 has 2 hydrogen bond donor(s) and 3 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 Sid 696205?
The CAS number of Sid 696205 is 64598-85-2.
What is the molecular formula of Sid 696205?
The molecular formula of Sid 696205 is C18H14O3.
What is the molecular weight of Sid 696205?
The molecular weight of Sid 696205 is 278.09 g/mol.
Where can I buy Sid 696205?
You can request a quote for Sid 696205 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sid 696205?
Yes, KEHONG BIO provides custom synthesis services for Sid 696205 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.