BAS 13119745
TL;DR: BAS 13119745 (CAS 438476-24-5) is a chemical compound with molecular formula C27H31N3O2 and molecular weight 429.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(cyclopropanecarbonyl)-6-[4-(dimethylamino)phenyl]-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: BAS 13119745, 10-(cyclopropylcarbonyl)-11-[4-(dimethylamino)phenyl]-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 5-(cyclopropanecarbonyl)-6-[4-(dimethylamino)phenyl]-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one, 5-(cyclopropanecarbonyl)-6-(4-dimethylaminophenyl)-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
| Molecular Formula | C27H31N3O2 |
|---|---|
| Molecular Weight | 429.24 g/mol |
| LogP | 5.3056 |
| Topological Polar Surface Area | 52.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 429.24164 |
| Heavy Atoms | 32 |
| Complexity | 1109.9763 |
Chemical Identifiers
| CAS Number | 438476-24-5 |
|---|---|
| SMILES | CC1(CC2=C(C(N(C3=CC=CC=C3N2)C(=O)C4CC4)C5=CC=C(C=C5)N(C)C)C(=O)C1)C |
Product Overview
BAS 13119745 (CAS 438476-24-5), with molecular formula C27H31N3O2 and molecular weight 429.24 g/mol. IUPAC: 5-(cyclopropanecarbonyl)-6-[4-(dimethylamino)phenyl]-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of BAS 13119745
Property Insights of BAS 13119745
The XLogP value of 5.3056 indicates that BAS 13119745 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.65 Ų, BAS 13119745 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 13119745 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 BAS 13119745?
The CAS number of BAS 13119745 is 438476-24-5.
What is the molecular formula of BAS 13119745?
The molecular formula of BAS 13119745 is C27H31N3O2.
What is the molecular weight of BAS 13119745?
The molecular weight of BAS 13119745 is 429.24 g/mol.
Where can I buy BAS 13119745?
You can request a quote for BAS 13119745 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13119745?
Yes, KEHONG BIO provides custom synthesis services for BAS 13119745 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.