胆蒽-9,10-二醇-7,8-环氧化物
TL;DR: 胆蒽-9,10-二醇-7,8-环氧化物 (CAS 13942-76-2) is a chemical compound with molecular formula C20H16O3 and molecular weight 304.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
胆蒽-9,10-二醇-7,8-环氧化物
(6S,7R,8R,10S)-9-oxahexacyclo[12.6.1.02,12.05,11.08,10.018,21]henicosa-1(21),2(12),3,5(11),13,15,17-heptaene-6,7-diol
Also Known As: Cholanthrene-9,10-diol-7,8-epoxide, KST-1A1281, (1ar,2r,3s,11cs)-1a,2,3,6,7,11c-hexahydrocyclopenta[7,8]tetrapheno[1,2-b]oxirene-2,3-diol, Indeno(7',1':6,7,8)phenanthro(3,4-b)oxirene-2,3-diol, 1a,2,3,6,7,11c-hexahydro-, (1aalpha,2beta,3alpha,11calpha)-, 1a,2,3,6,7,11c-Hexahydrocyclopenta[7,8]tetrapheno[1,2-b]oxirene-2,3-diol
| Molecular Formula | C20H16O3 |
|---|---|
| Molecular Weight | 304.11 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 53.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 304.10995 |
| Heavy Atoms | 23 |
| Complexity | 507.0 |
Chemical Identifiers
| CAS Number | 13942-76-2 |
|---|---|
| SMILES | C1CC2=C3C1=CC=CC3=CC4=C2C=CC5=C4[C@H]6[C@H](O6)[C@@H]([C@H]5O)O |
| InChIKey | BQXVUFNOKKHIKA-ZGXWSNOMSA-N |
Product Overview
胆蒽-9,10-二醇-7,8-环氧化物 (CAS 13942-76-2), with molecular formula C20H16O3 and molecular weight 304.11 g/mol. IUPAC: (6S,7R,8R,10S)-9-oxahexacyclo[12.6.1.02,12.05,11.08,10.018,21]henicosa-1(21),2(12),3,5(11),13,15,17-heptaene-6,7-diol.
Chemical Property Profile of 胆蒽-9,10-二醇-7,8-环氧化物
Property Insights of 胆蒽-9,10-二醇-7,8-环氧化物
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 胆蒽-9,10-二醇-7,8-环氧化物. With a topological polar surface area (TPSA) of 53.0 Ų, 胆蒽-9,10-二醇-7,8-环氧化物 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 胆蒽-9,10-二醇-7,8-环氧化物 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 胆蒽-9,10-二醇-7,8-环氧化物?
The CAS number of 胆蒽-9,10-二醇-7,8-环氧化物 is 13942-76-2.
What is the molecular formula of 胆蒽-9,10-二醇-7,8-环氧化物?
The molecular formula of 胆蒽-9,10-二醇-7,8-环氧化物 is C20H16O3.
What is the molecular weight of 胆蒽-9,10-二醇-7,8-环氧化物?
The molecular weight of 胆蒽-9,10-二醇-7,8-环氧化物 is 304.11 g/mol.
Where can I buy 胆蒽-9,10-二醇-7,8-环氧化物?
You can request a quote for 胆蒽-9,10-二醇-7,8-环氧化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 胆蒽-9,10-二醇-7,8-环氧化物?
Yes, KEHONG BIO provides custom synthesis services for 胆蒽-9,10-二醇-7,8-环氧化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.