Locin
TL;DR: Locin (CAS 102071-99-8) is a chemical compound with molecular formula C27H44O7 and molecular weight 480.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[[12,14-dihydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-methyloxane-3,4-diol
Also Known As: LOCIN, 12,14,20-Trihydroxypregn-5-en-3-yl 2,6-dideoxyhexopyranoside #, .beta.-D-ribo-Hexopyranoside, (3.beta.,12.beta.,14.beta.,20R)-12,14,20-trihydroxypregn-5-en-3-yl 2,6-dideoxy-, 6-[[12,14-dihydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-methyloxane-3,4-diol, 6-((12,14-dihydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta(a)phenanthren-3-yl)oxy)-2-methyloxane-3,4-diol
| Molecular Formula | C27H44O7 |
|---|---|
| Molecular Weight | 480.31 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 480.30872 |
| Heavy Atoms | 34 |
| Complexity | 817.0 |
Chemical Identifiers
| CAS Number | 102071-99-8 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CCC3(C4CC(C5(C(CCC5(C4CC=C3C2)O)C(C)O)C)O)C)O)O |
| InChIKey | GHPOHJMUQUXULM-UHFFFAOYSA-N |
Product Overview
Locin (CAS 102071-99-8), with molecular formula C27H44O7 and molecular weight 480.31 g/mol. IUPAC: 6-[[12,14-dihydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-methyloxane-3,4-diol.
Chemical Property Profile of Locin
Property Insights of Locin
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Locin. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Locin. Following Lipinski's Rule of Five, Locin has 5 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 Locin?
The CAS number of Locin is 102071-99-8.
What is the molecular formula of Locin?
The molecular formula of Locin is C27H44O7.
What is the molecular weight of Locin?
The molecular weight of Locin is 480.31 g/mol.
Where can I buy Locin?
You can request a quote for Locin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Locin?
Yes, KEHONG BIO provides custom synthesis services for Locin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.