17-Acetamido-5-androsten-3-ol-4-bis(2-chloroethyl)aminophenylacetate
TL;DR: 17-Acetamido-5-androsten-3-ol-4-bis(2-chloroethyl)aminophenylacetate (CAS 110312-92-0) is a chemical compound with molecular formula C33H46Cl2N2O3 and molecular weight 588.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,10R,13S,17S)-17-acetamido-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate
Also Known As: Aabcap, 17-Acetamido-5-androsten-3-ol-4-bis(2-chloroethyl)aminophenylacetate, [(3S,10R,13S,17S)-17-acetamido-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate, (7S,8R)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalen-1-ol hydrochloride, N-{3-[({4-[Bis(2-chloroethyl)amino]phenyl}acetyl)oxy]androst-5-en-17-yl}ethanimidic acid
| Molecular Formula | C33H46Cl2N2O3 |
|---|---|
| Molecular Weight | 588.29 g/mol |
| LogP | 7.0 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 588.2886 |
| Heavy Atoms | 40 |
| Complexity | 944.0 |
Chemical Identifiers
| CAS Number | 110312-92-0 |
|---|---|
| SMILES | CC(=O)N[C@H]1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)CC5=CC=C(C=C5)N(CCCl)CCCl)C)C |
| InChIKey | OGAQVUGJYFZLEO-KXOMOVGCSA-N |
Product Overview
17-Acetamido-5-androsten-3-ol-4-bis(2-chloroethyl)aminophenylacetate (CAS 110312-92-0), with molecular formula C33H46Cl2N2O3 and molecular weight 588.29 g/mol. IUPAC: [(3S,10R,13S,17S)-17-acetamido-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate.
Chemical Property Profile of 17-Acetamido-5-androsten-3-ol-4-bis(2-chloroethyl)aminophenylacetate
Property Insights of 17-Acetamido-5-androsten-3-ol-4-bis(2-chloroethyl)aminophenylacetate
The XLogP value of 7.0 indicates that 17-Acetamido-5-androsten-3-ol-4-bis(2-chloroethyl)aminophenylacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.6 Ų, 17-Acetamido-5-androsten-3-ol-4-bis(2-chloroethyl)aminophenylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 17-Acetamido-5-androsten-3-ol-4-bis(2-chloroethyl)aminophenylacetate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 17-Acetamido-5-androsten-3-ol-4-bis(2-chloroethyl)aminophenylacetate?
The CAS number of 17-Acetamido-5-androsten-3-ol-4-bis(2-chloroethyl)aminophenylacetate is 110312-92-0.
What is the molecular formula of 17-Acetamido-5-androsten-3-ol-4-bis(2-chloroethyl)aminophenylacetate?
The molecular formula of 17-Acetamido-5-androsten-3-ol-4-bis(2-chloroethyl)aminophenylacetate is C33H46Cl2N2O3.
What is the molecular weight of 17-Acetamido-5-androsten-3-ol-4-bis(2-chloroethyl)aminophenylacetate?
The molecular weight of 17-Acetamido-5-androsten-3-ol-4-bis(2-chloroethyl)aminophenylacetate is 588.29 g/mol.
Where can I buy 17-Acetamido-5-androsten-3-ol-4-bis(2-chloroethyl)aminophenylacetate?
You can request a quote for 17-Acetamido-5-androsten-3-ol-4-bis(2-chloroethyl)aminophenylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17-Acetamido-5-androsten-3-ol-4-bis(2-chloroethyl)aminophenylacetate?
Yes, KEHONG BIO provides custom synthesis services for 17-Acetamido-5-androsten-3-ol-4-bis(2-chloroethyl)aminophenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.