4-(N,N-Diacetylamino)benzo(a)pyrene-trans-9,10-dihydrodiol
TL;DR: 4-(N,N-Diacetylamino)benzo(a)pyrene-trans-9,10-dihydrodiol (CAS 36350-95-5) is a chemical compound with molecular formula C24H19NO4 and molecular weight 385.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-acetyl-N-[(9S,10S)-9,10-dihydroxy-9,10-dihydrobenzo[a]pyren-4-yl]acetamide
Also Known As: 4-(N,N-Diacetylamino)benzo(a)pyrene-trans-9,10-dihydrodiol, n-acetyl-n-[(9s,10s)-9,10-dihydroxy-9,10-dihydrobenzo[pqr]tetraphen-4-yl]acetamide, N-Acetyl-N-((9S,10S)-9,10-dihydroxy-9,10-dihydrobenzo(a)pyren-4-yl)acetate, N-Acetyl-N-(9,10-dihydroxy-9,10-dihydrobenzo[pqr]tetraphen-4-yl)acetamide, N-acetyl-N-[(9S,10S)-9,10-dihydroxy-9,10-dihydrobenzo[a]pyren-4-yl]acetamide
| Molecular Formula | C24H19NO4 |
|---|---|
| Molecular Weight | 385.13 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 385.1314 |
| Heavy Atoms | 29 |
| Complexity | 706.0 |
Chemical Identifiers
| CAS Number | 36350-95-5 |
|---|---|
| SMILES | CC(=O)N(C1=CC2=CC3=C([C@@H]([C@H](C=C3)O)O)C4=C2C5=C(C=CC=C15)C=C4)C(=O)C |
| InChIKey | RGVJKZSHVIXJAN-GBXCKJPGSA-N |
Product Overview
4-(N,N-Diacetylamino)benzo(a)pyrene-trans-9,10-dihydrodiol (CAS 36350-95-5), with molecular formula C24H19NO4 and molecular weight 385.13 g/mol. IUPAC: N-acetyl-N-[(9S,10S)-9,10-dihydroxy-9,10-dihydrobenzo[a]pyren-4-yl]acetamide.
Chemical Property Profile of 4-(N,N-Diacetylamino)benzo(a)pyrene-trans-9,10-dihydrodiol
Property Insights of 4-(N,N-Diacetylamino)benzo(a)pyrene-trans-9,10-dihydrodiol
The XLogP value of 3.0 indicates that 4-(N,N-Diacetylamino)benzo(a)pyrene-trans-9,10-dihydrodiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(N,N-Diacetylamino)benzo(a)pyrene-trans-9,10-dihydrodiol. Following Lipinski's Rule of Five, 4-(N,N-Diacetylamino)benzo(a)pyrene-trans-9,10-dihydrodiol has 2 hydrogen bond donor(s) and 4 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 4-(N,N-Diacetylamino)benzo(a)pyrene-trans-9,10-dihydrodiol?
The CAS number of 4-(N,N-Diacetylamino)benzo(a)pyrene-trans-9,10-dihydrodiol is 36350-95-5.
What is the molecular formula of 4-(N,N-Diacetylamino)benzo(a)pyrene-trans-9,10-dihydrodiol?
The molecular formula of 4-(N,N-Diacetylamino)benzo(a)pyrene-trans-9,10-dihydrodiol is C24H19NO4.
What is the molecular weight of 4-(N,N-Diacetylamino)benzo(a)pyrene-trans-9,10-dihydrodiol?
The molecular weight of 4-(N,N-Diacetylamino)benzo(a)pyrene-trans-9,10-dihydrodiol is 385.13 g/mol.
Where can I buy 4-(N,N-Diacetylamino)benzo(a)pyrene-trans-9,10-dihydrodiol?
You can request a quote for 4-(N,N-Diacetylamino)benzo(a)pyrene-trans-9,10-dihydrodiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(N,N-Diacetylamino)benzo(a)pyrene-trans-9,10-dihydrodiol?
Yes, KEHONG BIO provides custom synthesis services for 4-(N,N-Diacetylamino)benzo(a)pyrene-trans-9,10-dihydrodiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.