![2-{(4r)-4-[(5s,7r,10s,12s,13r,17r)-2,7,12-trihydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentyl}pentanedioic acid(non-preferred name) structure](/static/products/8745/87453-64-3.webp)
2-{(4r)-4-[(5s,7r,10s,12s,13r,17r)-2,7,12-trihydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentyl}pentanedioic acid(non-preferred name)
TL;DR: 2-{(4r)-4-[(5s,7r,10s,12s,13r,17r)-2,7,12-trihydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentyl}pentanedioic acid(non-preferred name) (CAS 87453-64-3) is a chemical compound with molecular formula C29H48O7 and molecular weight 508.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4R)-4-[(5S,7R,10S,12S,13R,17R)-2,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentyl]pentanedioic acid
Also Known As: 2-{(4r)-4-[(5s,7r,10s,12s,13r,17r)-2,7,12-trihydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentyl}pentanedioic acid(non-preferred name)
| Molecular Formula | C29H48O7 |
|---|---|
| Molecular Weight | 508.34 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 508.34 |
| Heavy Atoms | 36 |
| Complexity | 815.0 |
Chemical Identifiers
| CAS Number | 87453-64-3 |
|---|---|
| SMILES | C[C@H](CCCC(CCC(=O)O)C(=O)O)[C@H]1CCC2[C@@]1([C@H](CC3C2[C@@H](C[C@H]4[C@@]3(CC(CC4)O)C)O)O)C |
| InChIKey | PYDPTALDJCISIJ-LEXFQLMJSA-N |
Product Overview
2-{(4r)-4-[(5s,7r,10s,12s,13r,17r)-2,7,12-trihydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentyl}pentanedioic acid(non-preferred name) (CAS 87453-64-3), with molecular formula C29H48O7 and molecular weight 508.34 g/mol. IUPAC: 2-[(4R)-4-[(5S,7R,10S,12S,13R,17R)-2,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentyl]pentanedioic acid.
Chemical Property Profile of 2-{(4r)-4-[(5s,7r,10s,12s,13r,17r)-2,7,12-trihydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentyl}pentanedioic acid(non-preferred name)
Property Insights of 2-{(4r)-4-[(5s,7r,10s,12s,13r,17r)-2,7,12-trihydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentyl}pentanedioic acid(non-preferred name)
The XLogP value of 4.5 indicates that 2-{(4r)-4-[(5s,7r,10s,12s,13r,17r)-2,7,12-trihydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentyl}pentanedioic acid(non-preferred name) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{(4r)-4-[(5s,7r,10s,12s,13r,17r)-2,7,12-trihydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentyl}pentanedioic acid(non-preferred name). Following Lipinski's Rule of Five, 2-{(4r)-4-[(5s,7r,10s,12s,13r,17r)-2,7,12-trihydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentyl}pentanedioic acid(non-preferred name) has 5 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-{(4r)-4-[(5s,7r,10s,12s,13r,17r)-2,7,12-trihydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentyl}pentanedioic acid(non-preferred name)?
The CAS number of 2-{(4r)-4-[(5s,7r,10s,12s,13r,17r)-2,7,12-trihydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentyl}pentanedioic acid(non-preferred name) is 87453-64-3.
What is the molecular formula of 2-{(4r)-4-[(5s,7r,10s,12s,13r,17r)-2,7,12-trihydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentyl}pentanedioic acid(non-preferred name)?
The molecular formula of 2-{(4r)-4-[(5s,7r,10s,12s,13r,17r)-2,7,12-trihydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentyl}pentanedioic acid(non-preferred name) is C29H48O7.
What is the molecular weight of 2-{(4r)-4-[(5s,7r,10s,12s,13r,17r)-2,7,12-trihydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentyl}pentanedioic acid(non-preferred name)?
The molecular weight of 2-{(4r)-4-[(5s,7r,10s,12s,13r,17r)-2,7,12-trihydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentyl}pentanedioic acid(non-preferred name) is 508.34 g/mol.
Where can I buy 2-{(4r)-4-[(5s,7r,10s,12s,13r,17r)-2,7,12-trihydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentyl}pentanedioic acid(non-preferred name)?
You can request a quote for 2-{(4r)-4-[(5s,7r,10s,12s,13r,17r)-2,7,12-trihydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentyl}pentanedioic acid(non-preferred name) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{(4r)-4-[(5s,7r,10s,12s,13r,17r)-2,7,12-trihydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentyl}pentanedioic acid(non-preferred name)?
Yes, KEHONG BIO provides custom synthesis services for 2-{(4r)-4-[(5s,7r,10s,12s,13r,17r)-2,7,12-trihydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentyl}pentanedioic acid(non-preferred name) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.