![2-[(3-methoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy]ethyl 4-methylbenzenesulfonate structure](/static/products/882/88261-30-7.png)
2-[(3-methoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy]ethyl 4-methylbenzenesulfonate
TL;DR: 2-[(3-methoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy]ethyl 4-methylbenzenesulfonate (CAS 88261-30-7) is a chemical compound with molecular formula C29H42O5S and molecular weight 502.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-methoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy]ethyl 4-methylbenzenesulfonate
Also Known As: 2-[(3-methoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy]ethyl 4-methylbenzenesulfonate, 2-[(3-Methoxyandrost-5-en-17-yl)oxy]ethyl 4-methylbenzene-1-sulfonate
| Molecular Formula | C29H42O5S |
|---|---|
| Molecular Weight | 502.28 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 70.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 502.2753 |
| Heavy Atoms | 35 |
| Complexity | 885.0 |
Chemical Identifiers
| CAS Number | 88261-30-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCCOC2CCC3C2(CCC4C3CC=C5C4(CCC(C5)OC)C)C |
| InChIKey | MKGDYSCANPZGCN-UHFFFAOYSA-N |
Product Overview
2-[(3-methoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy]ethyl 4-methylbenzenesulfonate (CAS 88261-30-7), with molecular formula C29H42O5S and molecular weight 502.28 g/mol. IUPAC: 2-[(3-methoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy]ethyl 4-methylbenzenesulfonate.
Chemical Property Profile of 2-[(3-methoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy]ethyl 4-methylbenzenesulfonate
Property Insights of 2-[(3-methoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy]ethyl 4-methylbenzenesulfonate
The XLogP value of 6.0 indicates that 2-[(3-methoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy]ethyl 4-methylbenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3-methoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy]ethyl 4-methylbenzenesulfonate. Following Lipinski's Rule of Five, 2-[(3-methoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy]ethyl 4-methylbenzenesulfonate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[(3-methoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy]ethyl 4-methylbenzenesulfonate?
The CAS number of 2-[(3-methoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy]ethyl 4-methylbenzenesulfonate is 88261-30-7.
What is the molecular formula of 2-[(3-methoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy]ethyl 4-methylbenzenesulfonate?
The molecular formula of 2-[(3-methoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy]ethyl 4-methylbenzenesulfonate is C29H42O5S.
What is the molecular weight of 2-[(3-methoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy]ethyl 4-methylbenzenesulfonate?
The molecular weight of 2-[(3-methoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy]ethyl 4-methylbenzenesulfonate is 502.28 g/mol.
Where can I buy 2-[(3-methoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy]ethyl 4-methylbenzenesulfonate?
You can request a quote for 2-[(3-methoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy]ethyl 4-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3-methoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy]ethyl 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-methoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy]ethyl 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.