SC 4453
TL;DR: SC 4453 (CAS 6630-82-6) is a chemical compound with molecular formula C41H64N2O12 and molecular weight 776.45 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[6-[6-[(12,14-dihydroxy-10,13-dimethyl-17-pyridazin-4-yl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl)oxy]-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-2-methyloxane-3,4-diol
Also Known As: SC 4453, 6-[6-[6-[(12,14-dihydroxy-10,13-dimethyl-17-pyridazin-4-yl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl)oxy]-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-2-methyloxane-3,4-diol, 12,14-dihydroxy-17-(pyridazin-4-yl)androstan-3-yl 2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranoside, 12,14-dihydroxy-17-(pyridazin-4-yl)androstan-3-yl 2,6-dideoxyhexopyranosyl-(1-, beta-D-Ribo-hexopyranoside, (3beta,5beta,12beta,14beta,17beta)-12,14-dihydroxy-17-(4-pyridazinyl)androstan-3-yl O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-
| Molecular Formula | C41H64N2O12 |
|---|---|
| Molecular Weight | 776.45 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 203.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 7 |
| Exact Mass | 776.4459 |
| Heavy Atoms | 55 |
| Complexity | 1330.0 |
Chemical Identifiers
| CAS Number | 6630-82-6 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CC(C7(C6(CCC7C8=CN=NC=C8)O)C)O)C)C)C)O)O |
| InChIKey | OUDJBXKBCFRTRI-UHFFFAOYSA-N |
Product Overview
SC 4453 (CAS 6630-82-6), with molecular formula C41H64N2O12 and molecular weight 776.45 g/mol. IUPAC: 6-[6-[6-[(12,14-dihydroxy-10,13-dimethyl-17-pyridazin-4-yl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl)oxy]-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-2-methyloxane-3,4-diol.
Chemical Property Profile of SC 4453
Property Insights of SC 4453
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for SC 4453. The TPSA of 203.0 Ų indicates high polarity, suggesting SC 4453 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, SC 4453 has 6 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of SC 4453?
The CAS number of SC 4453 is 6630-82-6.
What is the molecular formula of SC 4453?
The molecular formula of SC 4453 is C41H64N2O12.
What is the molecular weight of SC 4453?
The molecular weight of SC 4453 is 776.45 g/mol.
Where can I buy SC 4453?
You can request a quote for SC 4453 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SC 4453?
Yes, KEHONG BIO provides custom synthesis services for SC 4453 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.